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Parent Terms Term With Siblings Child Terms
(+)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F acid 
(+)-(2S,3S,4R,7alpha)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F 
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid6,20-lactone 
(+)-(5S,6S,7R,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone 
(+)-(8R,8'R)-3',4,4'-trihydroxy-3-methoxylignan 
(+)-4-Acetoxymarilzallene 
(+)-4-epi-cryptomeridiol 
(+)-8-O-demethylmaritidine Trifluoroacetic acid 
(+)-albicanol  
(+)-alpha-longipinene 
(+)-alpha-pinene 
(+)-aplysinillin 
(+)-aR,11S-Myricanol 
(+)-artemisinic acid  
(+)-beta-caryophyllene 
(+)-boehmenan X 
(+)-buxafuranamide 
(+)-buxaminol C 
(+)-catechin-(4alpha->6)-(+)-gallocatechin 
(+)-catechin-(4alpha->8)-(-)-epigallocatechin 
(+)-catechin-3-O-gallate 
(+)-copalol 
(+)-delta-cadinol 
(+)-dexrazoxane +   
(+)-dihydrokaempferol +  
(+)-dihydromyricetin  
(+)-dihydropinidine 
(+)-Dioxosarcoguaiacol, (rel)- 
(+)-diversonol 
(+)-epicatechin-3-O-gallate  
(+)-epitaxifolin +  
(+)-epitaxifolin 3-O-alpha-D-arabinopyranoside 
(+)-flavipucine 
(+)-gallocatechin +  
(+)-gallocatechin-(4alpha->6)-(+)-catechin 
(+)-gallocatechin-(4alpha->8)-(+)-catechin 
(+)-gallocatechin-(4alpha->8)-(-)-epicatechin 
(+)-gallocatechin-(4beta->8)-(+)-catechin 
(+)-Ganodone 
(+)-garcinia acid 
(+)-guaiacin 
(+)-halomon 
(+)-jasplakinolide V 
(+)-jasplakinolide W 
(+)-jasplakinolide Z1 
(+)-jasplakinolide Z2 
(+)-jasplakinolide Z3 
(+)-jasplakinolide Z5 
(+)-kotanin 
(+)-larreatricin 
(+)-lyoniresinol +  
(+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside 
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside 
(+)-makassaric acid 
(+)-microdiplodiasone 
(+)-oxypeucedanin 
(+)-Preisocalamenediol 
(+)-sesamin +   
(+)-Shyobunone 
(+)-subersic acid 
(+)-syringaresinol +   
(+)-syringaresinol beta-D-glucoside  
(+)-taxifolin +   
(+)-taxifolin 3-O-alpha-D-arabinopyranoside 
(+)-taxifolin 3-O-alpha-L-arabinofuranoside 
(+)-taxifolin 3-O-alpha-L-arabinopyranoside 
(+)-taxifolin 3-O-beta-D-arabinopyranoside 
(+)-taxifolin 3-O-beta-D-xylopyranoside 
(+)-tephrorin A 
(+)-tephrorin B 
(+)-tephrosone 
(+)-vulgraon B 
(-)-(2R,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F 
(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nbeta-acetylstreptothricin F 
(-)-(2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoylstreptothricin E 
(-)-(4S,5S,10R)-12,18-dihydroxyabieta-8,11,13-trien-20-oic acid-18,20-lactone 
(-)-(4S,5S,10R,20R)-12,18-dihydroxy-7-oxo-abieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal 
(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal 
(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde18,20-methyl acetal 
(-)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal 
(-)-(4S,5S,8R,10R)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-oic acid 18,20-lactone 
(-)-(5S,6S,7S,10R)-6,7,12-trihydroxyabieta-8,11,13-trien-20-oic acid 6,20-lactone 
(-)-(7'R,8'S)-erythro-carolignan X 
(-)-(7'R,8'S)-erythro-carolignan Y 
(-)-(7'R,8R,8'R)-4,4'-dihydroxy-3,3',5-trimethoxy-2,7'-cyclolignan 
(-)-(7'S,8'S)-threo-carolignan X 
(-)-(7'S,8'S)-threo-carolignan Y 
(-)-(7R,8R)-Virolin 
(-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol 
(-)-(R)-4''-Hydroxyyashabushiketol 
(-)-(S)-chlorizidine A 
(-)-3-O-palmitoylloliolide 
(-)-4-Acetoxymarilzallene, (rel)- 
(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside) 
(-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one 
(-)-7-bromohomotrypargine 
(-)-8'-epi-aristoligone 
(-)-Acorenone 
(-)-alismoxide 
(-)-alpha-acorenol 
(-)-alpha-curcumene 
(-)-alpha-longipinene 
(-)-Alstolucine A, (rel)- 
(-)-Alstolucine B, (rel)- 
(-)-Alstolucine C 
(-)-Alstolucine D, (rel)- 
(-)-Alstolucine E 
(-)-Alstolucine F 
(-)-anisomycin  
(-)-annonaine +  
(-)-antofine  
(-)-beta-caryophyllene 
(-)-beta-elemene 
(-)-car-4-ene 
(-)-catechin +  
(-)-catechin-3-O-gallate 
(-)-Cereoaldomine 
(-)-Cereolactam 
(-)-cis-epsilon-viniferin 
(-)-coronaridine +  
(-)-demecolcine  
(-)-dihydroedulan II 
(-)-duryne 
(-)-duryne B 
(-)-duryne C 
(-)-duryne D 
(-)-duryne E 
(-)-duryne F 
(-)-ent-copalol 
(-)-epicatechin-(4alpha->8)-(-)-epicatechin +  
(-)-epicatechin-(4alpha->8)-(-)-epicatechin-3'-O-gallate 
(-)-epicatechin-(4beta->8)-(+)-gallocatechin 
(-)-epicatechin-(4beta->8)-(-)-epigallocatechin 
(-)-epicatechin-3-O-gallate 
(-)-epidihydropinidine 
(-)-epigallocatechin 3-gallate +   
(-)-epigallocatechin-(4beta->6)-(+)-catechin 
(-)-epigallocatechin-(4beta->8)-(-)-epicatechin 
(-)-epitaxifolin +  
(-)-epitaxifolin 3-O-alpha-D-arabinopyranoside 
(-)-flavipucine 
(-)-gallocatechin +  
(-)-gallocatechin gallate 
(-)-gambogic acid  
(-)-gamma-cadinene +  
(-)-hinokiresinol  
(-)-isoguaiacin 
(-)-Isoshyobunone 
(-)-jasplakinolide Z4 
(-)-latifolian A trifluoroacetate 
(-)-marinopyrrole A  
(-)-noscapine  
(-)-Pericosine Do 
(-)-phenylahistin 
(-)-pinidinone 
(-)-rel-acora-2,4(14),8-trien-15-oic acid 
(-)-taxifolin 3-O-beta-D-xylopyranoside 
(-)-trans-carveol 
(-)-trans-epsilon-viniferin  
(-)-Trypethelone 
(-)-voacangine 
(1'S,5'S)-5'-hydroxyaverantin 
(1'S,5'S)-5'-hydroxyaverantin(1-) 
(1,2,3-trimethyl-2-cyclopropen-1-yl)benzene 
(1,2-diaminocyclohexane)PtCl2 
(1-methylbutyl)cyclopentane 
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester 
(10Z)-tricosene 
(11Z)-eicoseneoylcarnitine 
(11Z)-icos-11-enoic acid +  
(11Z,14Z)-eicosadienoylcarnitine 
(11Z,14Z)-icosadienoic acid +  
(11Z,14Z,17Z)-icosatrienoate 
(13E)-octadecenoic acid 
(13R)-13-dihydrocarminomycin 
(13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid 
(13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid 
(13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid 
(13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid 
(13S)-vitexifolin A 
(13Z)-8-hydroxyoctadecene-9,11-diynoic acid 
(13Z,16Z)-docosadienoic acid +  
(13Z,16Z)-docosadienoylcarnitine 
(14Z)-hexadecenoic acid 
(15Z)-tetracosenoate +  
(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside 
(17R)-17-methylincisterol 
(17Z)-hexacosenoic acid +  
(17Z)-protosta-17(20),24-dien-3beta-ol 
(1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate 
(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene 
(1R,2E,4R,7E,11S,12R)-18-hydroxy-2,7-dolabelladiene 
(1R,2R,4aS,5R,8aR)-2-isopropyl-4a-methyl-8-methylenedecahydronaphthalene-1,5-diol 
(1R,2R,4S,5S,6R,7S)4,5-epoxygermacra-9Z-en-1,2,6-triol 
(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol 
(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene 
(1R,3E,7E,11S,12S,14S)-14-Acetoxy-3,7,18-dolabellatriene 
(1R,3E,7E,11S,12S,14S)-14-Hydroxy-3,7,18-dolabellatriene 
(1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene 
(1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene 
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate 
(1S)-1,23,25-trihydroxy-24-oxocalciol 
(1S)-1,25-dihydroxy-24-oxocalciol 
(1S,3aR,3a1S,4S,6S,6aS,9aR)-1-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylenedodecahydro-1H-phenalene 
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene 
(1S,3S,3aR,6S,6aR,9aS,9bS)-6-isocyano-3,6-dimethyl-9-methylidene-1-(2-methylprop-1-enyl)-2,3,3a,4,5,6a,7,8,9a,9b-decahydro-1H-phenalene 
(1S,3S,3aR,6S,6aR,9aS,9bS)-6-isocyano-3,6-dimethyl-9-methylidene-1-(2-methylprop-2-enyl)-2,3,3a,4,5,6a,7,8,9a,9b-decahydro-1H-phenalene 
(1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-7-formamido-20-isocyanoisocycloamphilectane 
(1S,4S,5S,12R,15S)-15-Isopropenyl-4,9,12-trimethyl-5-oxa-tricyclo[10.3.0.0(4,6)]pentadec-9-ene 
(1Z)-3-Acetoxy-1-propen-1-yl 5-methyleneoctadecanoate 
(2'S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)- 
(2'S)-Hydroxystemofoline 
(2,3-diphenylcyclopropyl)methyl phenyl sulfoxide 
(2->6)-beta-D-fructan 
(2-aminoethyl)phosphonic acid +  
(2-hydroxyphenyl)acetate 
(2-hydroxyphenyl)acetic acid  
(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA 
(20R)-17alpha,20-dihydroxycholesterol 
(20R,22R)-20,22-dihydroxycholesterol 
(20S)-20-hydroxypregn-4-en-3-one  
(20S)-5-ergostene-3beta,7alpha,16beta,20-tetrol 
(20S)-5-Stigmastene-3beta,7alpha,16beta,20-tetrol 
(20S)-ginsenoside Rg3 +   
(20S)-ginsenoside Rh2  
(20S)-hydroxyvitamin D3 
(20S,23)-dihydroxyvitamin D3 
(20S,23,24)-trihydroxyvitamin D3 
(20S,23,25)-trihydroxyvitamin D3 
(20S,24R)-dihydroxyvitamin D3 
(20S,24S)-dihydroxyvitamin D3 
(223)RaCl2 
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside 
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol 
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol 
(23S)-23,25,26-trihydroxycalciol +  
(24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA 
(24R)-1alpha,24-dihydroxy-22-oxavitamin D3 
(24R)-24,25-dihydroxycalciol 
(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA 
(24S)-7alpha,24-dihydroxycholesterol 
(24S,25)-dihydroxycholesterol 
(24S,26)-dihydroxycholesterol 
(24Z),26-hydroxydesmosterol 
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) 
(25R)-5beta-spirostan-3beta-ol +  
(25R)-7alpha,26-dihydroxycholest-4-en-3-one 
(25R)-cholest-5-ene-3beta,26-diol +   
(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA 
(2E)-1,4-dimethoxybut-2-en-1-yl acetate 
(2E)-2-hexenyl isovalerate 
(2E)-2-tridecene 
(2E)-7-carboxyhept-2-enoylcarnitine 
(2E)-hex-2-en-1-yl propanoate 
(2E)-hexenoate 
(2E)-hexenoic acid +  
(2E)-octenoylcarnitine 
(2E,4E)-N-[(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-decadienamide 
(2E,4E)-N-[2-(methylsulfinyl)ethyl]-2,4-decadienamide 
(2E,4E)-N-isobutyl-2,4-dodecadienamide 
(2E,4E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)-hepta-2,4-dienamide 
(2E,4E,8E)-N-isobutyl-11-(3,4-methylenedioxyphenyl)undeca-2,4,8-trienamide 
(2E,4E,8E,10E)-dodecatetraenedioic acid 
(2E,4Z)-decadienoylcarnitine 
(2E,6E)-8-\{[(2E,6E)-8-acetoxy-2,6-dimethylocta-2,6-dienoyl]oxy\}-2,6-dimethylocta-2,6-dienoic acid 
(2E,6E)-8-\{[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy\}-2,6-dimethylocta-2,6-dienoic acid 
(2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid 
(2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione 
(2R)-aminoheptanoic acid 
(2R)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid 
(2R)-pterosin P 
(2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin 
(2R,3R)-2,3-di(propan-2-yl)oxirane 
(2R,3R)-cis-fertaric acid 
(2R,3R)-trans-fertaric acid 
(2R,3S)-2-methyl-3-propyloxirane 
(2R,3S)-cis-coutaric acid 
(2R,3S)-sulfated pterosin C, (+)- 
(2R,3S)-trans-coutaric acid 
(2R,3S,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol 
(2R,3S,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol 
(2R,3S,4S)-leucodelphinidin 
(2S),(2''S)-8,8''-5',5''-tetrahydroxy-7,7''-3,3''-4,4''-hexamethoxy-5,5''-biflavan 
(2S),(2''S)-8,8''-5'-trihydroxy-7,7''-3,3''-4,4''-5''-heptamethoxy-5,5''-biflavan 
(2S)-(-)-kurarinone +  
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-beta-D-galactopyranosyl-sn-glycerol 
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-linoleoyl-3-O-beta-D-galactopyranosyl-sn-glycerol 
(2S)-1-O-(7Z,10Z,13Z)-hexadecatrienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-beta-D-galactopyranosyl-sn-glycerol 
(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(alpha-D-galactopyranosyl(1->6)-beta-D-galactopyranosyl)-sn-glycerol 
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan 
(2S)-2'-methoxykurarinone 
(2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 
(2S)-2-heptanol 
(2S)-5,7,3',5'-tetrahydroxy-8-[3'',8''-dimethylocta-2''(E),7''-dienyl]flavonone 
(2S)-5,7,3',5'-tetrahydroxyflavanone-7-O-beta-D-glucopyranoside 
(2S)-5,7,3'-trihydroxy-4'-methoxy-8-(3''-methylbut-2''-enyl)-flavonone 
(2S)-5,7-dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3',4'-methylenedioxyflavanone 
(2S)-5,7-dimethoxy-8-formylflavanone 
(2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone 
(2S)-6-(gamma,gamma-dimethylallyl)-5,3'-dihydroxy-4'-methoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone 
(2S)-6-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-3'-methoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone 
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid 
(2S*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin 
(2S*,3R*)-2,3-dihydro-7-methoxy-2,3-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin 
(2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one 
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate 
(2S,3R)-capreomycidine 
(2S,3R)-cis-caftaric acid 
(2S,3R)-trans-caftaric acid 
(2S,3R,4R)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol 
(2S,3R,4S)-2-[(1E)-buta-1,3-dienyl]-4-[(1E,3E)-penta-1,3-dienyl]tetrahydrofuran-3-ol 
(2S,3R,4S)-3a-[(beta-D-glucopyranosyl)oxy]lyoniresinol 
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) 
(2S,3S)-cis-fertaric acid 
(2S,3S)-pterosin C 
(2S,3S)-sulfated pterosin C 
(2S,3S,4R,9E)-1,3,4-trihydroxyl-2-[(2'R)-2'-hydroxytetracosanoylamino]-9-octadecene 
(2Z,4E)-2-aminomuconate(2-) 
(2Z,4E)-2-ammoniomuconate(1-) 
(2Z,4R)-hydroxynon-2-enoic acid 
(3,4-dihydroxyphenyl)acetate 
(3,4-dihydroxyphenyl)acetic acid +   
(3beta,16alpha)-16-hydroxy-13,28-epoxyoleanan-3-yl alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-arabinopyranoside 
(3E)-2,3,4-trimethylhex-3-enal 
(3E)-2,6-dimethyloct-3-ene 
(3E,5E)-tridecadienoic acid 
(3R)-6-hydroxy-7-methoxy-alpha-dunnione, (-)- 
(3R)-7-hydroxy-alpha-dunnione 
(3R)-7-methoxy-alpha-dunnione, (-)- 
(3R)-alpha-dunnione 
(3R)-Dunnione, (rel)- 
(3R,4R)-(-)-6-methoxy-1-oxo-3-n-pentyl-3,4-dihydro-1H-isochromen-4-yl-acetate 
(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one 
(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one 
(3R,4S,1'R)-3-(1'-hydroxyethyl)-4-methyldihydrofuran-2(3H)-one 
(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid 
(3S)-3-\{[3',4'-difluoro-5-(\{4'-fluoro-6-[(3S)-pyrrolidinium-3-yloxy][biphenyl]-3-yl\}carbamoyl)[biphenyl]-2-yl]oxy\}pyrrolidinium dichloride 
(3S)-3-hydroxy-3-methylglutaryl-CoA 
(3S)-3-hydroxy-L-aspartic acid +  
(3S)-citramalyl-CoA(5-) 
(3S,10S)-panaxydiol 
(3S,3'S,4S,4'S,5R)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromene-4,4'-diyl diacetate 
(3S,3'S,4S,4'S,6'S)-10,10'-dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,6'-bibenzo[g]isochromene-4,4'-diyl diacetate 
(3S,3aS,6E,10E,12aR)-6,10,12a-trimethyl-3-(prop-1-en-2-yl)-3,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulen-1(2H)-one 
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one 
(3S,4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one 
(3S,4aR,5S)-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one 
(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one 
(3S,5S)-Alpinikatin 
(3S,9R,10R)-gensenoyne C 
(3S,9R,10R)-panaxytriol 
(3Z)-hex-3-en-1-yl acetate 
(3Z,6Z)-dodecadienoyl-CoA 
(4-hexyl-2,5-dioxo-2,5-dihydro-3-furanyl)acetic acid 
(4-hydroxy-3-methoxyphenyl)acetaldehyde 
(4-hydroxyphenyl)acetaldehyde 
(4aS,5R,10bR)-(+)-siculine Trifluoroacetic acid 
(4betaH)-5alpha-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide 
(4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide 
(4E)-2,3-dimethylhexa-1,4-diene 
(4E)-7-methyldec-4-ene 
(4E)-hept-4-en-2-one 
(4E,6E)-3-hydroxydeca-4,6-dienoate 
(4E,6E)-3-hydroxydeca-4,6-dienoic acid 
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one 
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl isobutyrate 
(4S,5S)/(4R,5R)-2,2,4-triethyl-5-methyl-1,3-dioxolane 
(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal 
(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-hemiacetal 
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid 
(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid +   
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate +  
(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid +  
(5,6-dimethyl-1,10-phenanthroline)(1S,2S-diaminocyclohexane)platinum(II)(2+) 
(5-hydroxyindol-3-yl)acetaldehyde  
(5-hydroxyindol-3-yl)acetate 
(5-hydroxyindol-3-yl)acetic acid +   
(5alpha)-androst-3-en-17-one 
(5S)-5-(carboxymethyl)-L-proline 
(5S,7R, 8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol 
(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al 
(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol 
(5Z)-13-carboxytridec-5-enoylcarnitine 
(5Z)-tetradecenoylcarnitine 
(5Z,8Z)-octadecadienoic acid 
(5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid 
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate 
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate 
(5Z,9Z,12Z)-octadecatrienoic acid +  
(6E)-neomanoalide 
(6E,8Z)-5-oxooctadecadienoic acid 
(6R)-5,10-methenyltetrahydrofolate +  
(6R)-5,10-methylenetetrahydrofolate(2-) +  
(6S)-5,6,7,8-tetrahydrofolate(2-) 
(6S)-5-formyltetrahydrofolate(2-) 
(6S)-5-formyltetrahydrofolic acid 
(6S)-5-methyltetrahydrofolate(2-) +  
(6S)-vomifoliol +  
(6S,9R)-vomifoliol 
(6Z)-neomanoalide 
(7R,7R)-4,7,9,9'-tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan 
(7R,8R)-Polysphorin 
(7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine 
(7S,8S)-4,7,9,9'-Tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan 
(7Z,10Z,13Z,16Z)-docosatetraenoylcarnitine 
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate +  
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid +  
(8E)-N-isobutyl-9-(3,4-methylenedioxyphenyl)nona-8-enamide 
(8Z,11Z,14Z)-heptadecatrienal 
(9E)-10-nitrooctadecenoic acid 
(9E)-9-nitrooctadecenoic acid 
(9E,11E)-octadecadienoic acid +   
(9Z)-3-hydroxydodecenoylcarnitine 
(9Z)-3-hydroxyoctadecenoylcarnitine 
(9Z)-octadecen-1-ol +  
(9Z,11E,13Z)-octadecatrienoic acid +  
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine 
(9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid +  
(alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol 
(alpha-D-mannosyl)3-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol 
(alpha-D-mannosyl)4-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol 
(alpha-D-mannosyl)5-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol 
(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol 
(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol 
(cyclo(L-Val-D-Ile-L-Leu-L-pro-D-Leu)) 
(cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro)) 
(E)-2-(hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol 
(E)-2-(Hydroxymethyl)-3-(4-hydroxypent-1-enyl)phenol 
(E)-2-[[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid 
(E)-2-dodecene +  
(E)-2-octene 
(E)-3-dodecene 
(E)-3-octene 
(E)-4-(hept-1-enyl)-7-(3-methylbut-2-enyl)-2,3-dihydrobenzofuran-2,5-diol 
(E)-4-oxonon-2-enal 
(E)-Adrienyne, [rel(threo)]- 
(E)-dec-3-en-2-ol 
(E)-hexadec-2-enoic acid +  
(E)-hexadec-2-enoyl-CoA(4-) 
(E)-trans-miyabenol C 
(E,E)-bastadin 19 
(E,E)-germacrone  
(E,Z)-bastadin 19 
(N(omega)-L-arginino)succinate(1-) 
(R)-((4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl) 2-amino-2-methylbutanoate 
(R)-(+)-6',7'-dihydroxybergamottin 
(R)-(+)-6'-hydroxy-7'-methoxybergamottin 
(R)-2-hydroxy-4-methylpentanoate 
(R)-2-hydroxyglutaric acid 
(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one 
(R)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one 
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one 
(R)-3-Hydroxy-1-[(R)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one 
(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one 
(R)-3-hydroxybutanoyl-CoA(4-) 
(R)-3-hydroxybutyrate +  
(R)-3-hydroxybutyric acid +  
(R)-3-hydroxylauric acid +  
(R)-4''-methoxydalbergione 
(R)-4'-phosphonatopantothenate(3-) 
(R)-4-methyl-1-heptanol 
(R)-5-diphosphomevalonic acid 
(R)-5-phosphonatomevalonate(3-) 
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one 
(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one 
(R)-adrenaline(1+) 
(R)-amygdalin  
(R)-bicalutamide +   
(R)-homocamptothecin +  
(R)-icosanoylcarnitine 
(R)-lactaldehyde 
(R)-lactic acid +   
(R)-methylmalonyl-CoA(5-) 
(R)-mevalonate +  
(R)-N-trans-feruloyloctopamine 
(R)-noradrenaline(1+) 
(R)-oleoylcarnitine 
(R)-oleoylcarnitine hydrochloride 
(R)-propane-1,2-diol 
(R)-S-lactoylglutathionate(1-) 
(R)-S-lactoylglutathione 
(R)-Sargachromenol 
(R,R)-2,3-dimethyl-6-phytylhydroquinone 
(R,R)-2-methyl-6-phytylhydroquinone 
(R,R)-tramadol +   
(R,R,S)-lobaplatin +   
(RS)-mallotophilippen E 
(S)-2,3-epoxysqualene 
(S)-2-hydroxy-3-methylbutyrate 
(S)-2-hydroxy-3-methylbutyric acid 
(S)-3,7-dihydroxychroman-4-one 
(S)-3-aminoisobutyric acid 
(S)-3-hydroxybutanoyl-CoA(4-) 
(S)-3-hydroxydecanoyl-CoA 
(S)-3-hydroxyhexanoyl-CoA 
(S)-3-hydroxyisobutyryl-CoA 
(S)-3-hydroxylauroyl-CoA 
(S)-3-hydroxyoctanoyl-CoA 
(S)-3-hydroxypalmitoyl-CoA 
(S)-3-hydroxytetradecanoyl-CoA 
(S)-3-sulfonatolactate(2-) 
(S)-5'-oxoaverantin 
(S)-ATPA 
(S)-carnitinium 
(S)-dihydroorotate 
(S)-dihydroorotic acid 
(S)-glaucine +   
(S)-lactaldehyde 
(S)-lactic acid +   
(S)-malate(2-) +  
(S)-methyl 4-(6-benzyl-4-oxo-4H-pyran-3-carboxamido)-2-methyl-4-oxobutanoate 
(S)-methylmalonyl-CoA(5-) 
(S)-nicotinium N-alpha-D-glucosiduronate 
(S)-nornicotine 
(S)-propane-1,2-diol +  
(S)-Sargachromenol 
(S,S,S)-lobaplatin +   
(Z)-2-octene 
(Z)-2-penten-1-ol 
(Z)-3-(2-methyl-1-butenyl)pyridine 
(Z)-3-butylidenephthalide  
(Z)-3-dodecene 
(Z)-3-octene 
(Z)-6,6',7,3'a-Diligustilide 
(Z)-9-hydroxybenzo[c]oxepin-3(1H)-one 
(Z)-but-2-ene-1,2,3-tricarboxylate 
(Z)-ligustilide  
1',2'-didehydrostemofoline 
1'-acetoxychavicol acetate  
1,1'-(propane-1,2-diyl)dibenzene 
1,1,3,3-tetramethylurea 
1,1,5-trimethyl-1,2-dihydronaphthalene 
1,1,6-trimethyltetralin 
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 
1,2,3,4-tetrachlorobutane 
1,2,5-trihydroxyxanthone 
1,2-dehydrogeissoschizoline 
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine 
1,2-diacyl-sn-glycero-3-phosphocholine(1+) +   
1,2-dichlorobenzene +   
1,2-dihydroheudelotinol 
1,2-Dihydroxybisabola-3,10-diene 
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine 
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion 
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine 
1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine zwitterion 
1,2-distearoylphosphatidylethanolamine zwitterion +  
1,2-Methylenedioxy-3,4,6-trimethoxydibenzofuran 
1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone 
1,3,5-trihydroxy-2-(2',2'-dimethyl-4'-isopropenyl)cyclopentanylxanthone 
1,3,6,8-tetraazatricyclo[6.2.1.1(3,6)]dodecane 
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside 
1,3,7-trihydroxy-2,4-diisoprenylxanthone 
1,3,7-trimethylisoguanine 
1,3-benzothiazole-2-thiol +   
1,3-diacetoxypropane 
1,3-diacetylvilasinin 
1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone 
1,3-dimethyluracil 
1,3-dimethyluric acid 
1,3-oxathiane 
1,4-butanediammonium +  
1,4-diacetoxybutane 
1,4-dimethylcyclohexane +  
1,4-dioxane  
1,4-dithiothreitol +   
1,5,6-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,4)-2-(3-methylbut-2-enyl)xanthone 
1,5-anhydro-D-glucitol 
1,5-diaminotetrazole 
1,5-diazabicyclo[4.3.0]nonane 
1,5-Dihydroxy-2,3-dimethoxy-10-methyl-9-acridone 
1,5-dimethyluracil 
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone 
1,6-bis-O-galloyl-beta-D-glucose 
1,7-bis-(4-hydroxyphenyl)-2,4,6-heptatrienone 
1,7-dihydroxy-4-methoxyxanthone 
1,8-dihydroxy-3-methoxy-6-methylxanthone 
1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine 
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane 
1-(2-hydroxy-4-methylphenyl)propan-1,2-dione 
1-(2-phenylethyl)imidazolidine-2,4,5-trione 
1-(3,9-Dihydroxy-1,3-dihydrobenzo[c]oxepin-3-yl)ethanone, (rac)- 
1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone 
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 
1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide 
1-(6Z,9Z,12Z,15Z)-octadecatetraenoyl-2(15Z)-tetracosenoyl-sn-glycero-3-phosphoethanolamine 
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-[(9Z,12Z)-hexadecadienoyl]-sn-glycero-3-phospho-1D-myo-inositol 
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine 
1-[(1Z,9Z)-octadecadienyl]-sn-glycero-3-phosphocholine 
1-[(2E)-7-(3,4-methylenedioxyphenyl)-2-heptenoyl]pyrrolidine 
1-[(2E,10E)-11-(3,4-methylenedioxyphenyl)-2,10-undecadienoyl]pyrrolidine 
1-[(2E,4E)-11-(3,4-methylenedioxyphenyl)-2,4-undecadienoyl]pyrrolidine 
1-[(2E,4E)-2,4-decadienoyl]pyrrolidine 
1-[(2E,4E)-2,4-dodecadienoyl]pyrrolidine 
1-[(2E,4E)-7-(3,4-methylenedioxyphenyl)-2,4-heptadienoyl]pyrrolidine 
1-[(2E,4E,10E)-10-(3,4-methylenedioxyphenyl)-2,4,10-undecatrienoyl]pyrrolidine 
1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine 
1-[(2E,4E,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine 
1-[(2E,4Z,8E)-9-(3,4-methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine 
1-[(2E,8E)-9-(3,4-methylenedioxyphenyl)-2,8-nonadienoyl]pyrrolidine 
1-[(3-methylbutanoyl)phloroglucinyl]-beta-D-glucopyranoside 
1-[(4E,10E)-11-(3,4-methylenedioxyphenyl)-4,10-undecadienoyl]pyrrolidine 
1-[(8E)-9-(3,4-methylenedioxyphenyl)-8-nonenoyl]pyrrolidine 
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-icosenoyl]-sn-glycero-3-phospho-1D-myo-inositol 
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phospho-1D-myo-inositol 
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-icosanoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-[(8Z,11Z,14Z,17Z)-icosatetraenoyl]-2-octadecanoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-[(9E)-10-(3,4-methylenedioxyphenyl)-9-decenoyl]pyrrolidine 
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine 
1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside 
1-[2,3-Dihydro-6-hydroxy-4,7-dimethoxy-2S-(prop-1-en-2-yl)benzofuran-5-yl]ethanone 
1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethan-1-one 
1-acetyl-3-methoxycarbonyl-beta-carboline 
1-Acetyl-beta-carboline 
1-acyl-sn-glycerol 3-phosphate(2-) +  
1-acylglycerone 3-phosphate(2-) +  
1-alkyl-2-acetyl-sn-glycerol +  
1-alkyl-2-acetyl-sn-glycerol 3-phosphate(2-) 
1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine +  
1-alkyl-2-acyl-sn-glycerol +  
1-alkyl-sn-glycerol 3-phosphate(2-) +  
1-alkylglycerone 3-phosphate +  
1-alkylglycerone 3-phosphate(2-) +  
1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-arachidonoyl-sn-glycero-3-phosphoethanolamine 
1-arachidonoyl-sn-glycerol 3-phosphate 
1-behenoylglycerol 
1-bromo-2-propanol 
1-bromo-4-cyclopropylbenzene 
1-butoxy-1-ethoxyethane 
1-chlorobutan-2-ol 
1-decene +  
1-deoxy-11-oxopentalenic acid 
1-deoxy-11beta-hydroxypentalenic acid 
1-deoxypentalenic acid 
1-deoxysphinga-6Z,9Z,12Z,15Z-tetraenine 
1-deoxysphinganine +  
1-deoxytetradecasphinganine 
1-docosene 
1-dodecene 
1-epi-tatridin B 
1-epijosephinine Trifluoroacetic acid 
1-ethoxy-1-pentoxyethane 
1-ethyl-2-propylcyclohexane 
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine 
1-hexadecanoyl-sn-glycero-3-phospho-D-myo-inositol 
1-hexadecanoyl-sn-glycero-3-phosphoethanolamine 
1-hexanamine 
1-hydroxy-5-phenyl-3-pentanone 
1-hydroxycrisamicin A 
1-hydroxyprotostemonine, (rel)- 
1-icosapentaenoyl-sn-glycero-3-phosphocholine 
1-iodo-2-methylundecane 
1-iodotetradecane 
1-isopropoxyacetone 
1-isothiocyanato-6-(methylsulfanyl)hexane 
1-linoleoyl-sn-glycero-3-phosphoethanolamine 
1-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion 
1-methoxycanthinone 
1-methyl-4-imidazoleacetic acid 
1-methyl-5-imidazoleacetic acid 
1-methyl-imidazole-2-carboxylic acid 
1-methyl-imidazole-4-carboxylic acid 
1-methyl-pyrazole-3-carboxylic acid 
1-methyl-pyrazole-4-carboxylic acid 
1-methyl-pyrazole-5-carboxylic acid +  
1-methyladenine 
1-methyladenosine 
1-methylcytosine 
1-methylguanosine 
1-methylimidazole-4-acetaldehyde 
1-methylinosine 
1-methylpyrrolinium 
1-methyltryptophan  
1-methyluracil 
1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine +   
1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside 
1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-vanilloyl)-beta-D-glucopyranoside 
1-O-acetyl-4R,6S-britannilactone 
1-O-acetylbulbisine Trifluoroacetic acid 
1-O-all-trans-retinoyl-beta-glucuronic acid 
1-O-benzoyl-1-deacetyl-9'-deacetoxymekongensine 
1-O-benzoyl-1-deacetylmekongensine 
1-O-caffeoylquinic acid 
1-O-isopropyl-beta-D-glucopyranoside 
1-octadec-9-enoylglycero-3-phosphate  
1-octadecylglycero-3-phosphocholine 
1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-oleoyl-sn-glycero-3-phosphoethanolamine 
1-p-menth-1-ene-9-al 
1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine 
1-pentadecanoyl-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine 
1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine 
1-penten-3-one  
1-phenyl-3-(phenylsulfonyl)-2-propen-1-one 
1-phenylethylamine +  
1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) +  
1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) +  
1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) +  
1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) +  
1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate +  
1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) +  
1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) +  
1-phosphatidyl-1D-myo-inositol(1-) +  
1-piperideine-2-carboxylate 
1-piperideine-6-carboxylate +  
1-pyrroline-2-carboxylate 
1-pyrroline-5-carboxylate +  
1-pyrrolinium +  
1-salicylate glucuronide 
1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine 
1-stearoyl-sn-glycero-3-phosphate 
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-stearoyl-sn-glycero-3-phosphoethanolamine 
1-undecyne 
10-acetoxy-8-hydroxy-9-O-angeloylthmol 
10-acetylirciformonin B 
10-deacetyl-2-debenzoylbaccatin III 
10-deacetylbaccatin III +   
10-deoxygerfelin 
10-deoxymethymycin +  
10-deoxymethynolide +  
10-desacetyltaxuyunnanin C 
10-formyltetrahydrofolate(2-) +  
10-HDoHE 
10-hydroxy-(2E,8E)-decadien-4-ynoic acid 
10-hydroxycanthin-6-one 
10-hydroxypalmitic acid 
10-nonadecenoate 
10-nonadecenoic acid +  
10-PAHSA 
10-PAHSA(1-) 
10058-F4 
10alpha-hydroperoxy-guaia-1,11-diene 
10beta,14beta-dihydroxytaxa-4(20),11-dien-5alpha-yl acetate 
10beta-hydroxytaxa-4(20),11-dien-5alpha-yl acetate 
11-cis-retinal +  
11-cis-retinol +  
11-cis-retinyl palmitate 
11-cyclopentylundecanoic acid 
11-dehydro-thromboxane B2  
11-dehydrocorticosterone  
11-deoxycorticosterone +   
11-deoxycortisol  
11-epi-prostaglandin F2alpha +  
11-epi-prostaglandin F2alpha(1-) 
11-HDoHE 
11-hydroxy-O-methyldihydrosterigmatocystin 
11-hydroxy-O-methylsterigmatocystin 
11-hydroxylauric acid +  
11-Methoxysampangine 
11-nitro-1-undecene 
11-oxo-ETE +  
11-oxotestosterone 
11-PAHSA 
11-PAHSA(1-) 
11-trans-LTE4 
11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide 
11alpha-hydroxyasiatic acid 
11beta-hydroxyandrost-4-ene-3,17-dione 
11beta-hydroxyprogesterone 
11beta-PGE2 
12(S)-HETE 
12(S)-HPETE(1-) 
12-deacetoxy-21-acetoxyscalarin 
12-demethylmulticaulin 
12-demethylmultiorthoquinone 
12-deoxyphorbaldehyde-13-hexadecanoate 
12-deoxyphorbol-13,20-diacetate 
12-deoxyphorbol-13-(3E,5E-decadienoate) 
12-deoxyphorbol-13-hexadecanoate 
12-epi-leukotriene B4 
12-Epoxyobtusallene IV 
12-HETE +  
12-HHTrE +   
12-hydroxylauric acid +   
12-hydroxyplatencinic acid methyl ester 
12-ketomethymycin +  
12-methyl-5-dehydroacetylhorminone 
12-methyl-5-dehydrohorminone +  
12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide 
12-O-acetyl-16-O-methylhyrtiolide 
12-O-Decanoylphorbol-13-acetate 
12-PAHSA 
12-PAHSA(1-) 
12a-hydroxyrotenone 
12alpha-Deoxoscalarin 
12alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid +  
12alpha-hydroxy-8,15-isopimaradien-18-oic acid 
12beta-acetoxyhuratoxin 
12S,13R-dihydroxylabda-8(17),14-dien-19-oic acid 
12S,13S-dihydroxylabda-8(17),14-dien-19-oic acid 
13(S)-HODE 
13(S)-HPODE +  
13(S)-HPODE(1-) 
13,14-dihydro-15-keto-PGF2alpha +   
13,14-dihydro-15-ketoprostaglandin D2  
13,14-dihydro-15-oxo-20-carboxy-PGF2alpha 
13,14-dihydro-15-oxolipoxin A4 
13,14-dihydro-15-oxolipoxin A4(1-) 
13,14-dihydro-Delta(12)-prostaglandin J2  
13,14-dihydrolipoxin A4 
13,14-dihydrolipoxin A4(1-) 
13,17-Epoxy-16-hydroxy macrolactin A 
13-cis-retinal  
13-cis-retinol +  
13-Deacetylcanadensene 758363543 
13-deoxycarminomycin 
13-epi-manool 
13-epi-Preleosibirone 
13-HODE +  
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid 
13-hydroxy-6Z,9Z,11E-octadecatrienoic acid 
13-hydroxy-alpha-tocopherol 
13-hydroxyplatencinic acid methyl ester 
13-N-demethyl-methylpendolmycin 
13-oxo-9E,11E-ODE 
13-oxo-9Z,11E-ODE 
13-PAHSA 
13-PAHSA(1-) 
14-angeloyloxy-11alpha-hydroxy-Omethyl-1,2,3,4-tetrahydrocacalolide 
14-angeloyloxy-2alpha,3alpha-epoxy-1-oxo-O-methylcacalol 
14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol 
14-angeloyloxy-3beta-hydroxydeltonorcacalol 
14-angeloyloxydeltonorcacalol 
14-demethyllanosterol +   
14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-acetate 
14-deoxo-3-O-propionyl-5,15-di-O-acetyl-7-O-benzoylmyrsinol-14beta-nicotinoate 
14-Deoxy-11,12-didehydroandrographolide  
14-deoxyxyloccensin K 
14-dihydroxycornestin 
14-hydroxyplatensic acid +  
14-hydroxyplatensic acid methyl ester 
14-norpseurotin A 
15(S)-HETE 
15(S)-HPETE(1-) 
15,16-bisnor-13-oxo-8(17),11Elabdadien-19-oic acid 
15,16-epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)- 
15,16-epoxy-8alpha-(benzoyloxy)methyl-2-oxocleroda-3,13(16),14-trien-18-oic acid, (rel)- 
15,16-epoxy-8alpha-(benzoyloxy)methyl-2R-hydroxycleroda-3,13(16),14-trien-18-oic acid, (rel)- 
15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)- 
15,17-Epoxy-16-hydroxy macrolactin A 
15-acetoxyorbiculin G 
15-acetylirciformonin B 
15-dehydro-prostaglandin E1(1-) 
15-dehydroprostaglandin A1 
15-deoxy-Delta(12,14)-prostaglandin J2 +   
15-epi-Leosibirone B, (rel)- 
15-epi-lipoxin A4 
15-HEDE +  
15-HETrE +  
15-hydroxy-tetracosa-6,9,12,16,18-pentaenoic acid 
15-hydroxyangustilobine A 
15-ketoprostaglandin F1alpha 
15-ketoprostaglandin F1alpha(1-) 
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid 
15-O-deacetylnimbolidin B 
15-oxo-ETE +   
15-oxoEDE 
15alpha-hydroperoxy-guaia-1(10),11-diene 
16,23-epoxy-5beta-cholestane triglycoside 
16-carboxy-17,18,19,20-tetranor-leukotriene E3 
16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4 +  
16-Deacetoxy-12-epi-scalarafuranacetate 
16-epivincamine 
16-HDoHE 
16-hydroxytriptolide 
16-O-deacetyl-16-epi-scalarolbutenolide 
16alpha-hydroxydehydroepiandrosterone 
16alpha-hydroxygypsogenic acid +  
16alpha-hydroxypregnenolone 
16beta,17-dihydroxy-ent-kaurane-19-oic acid 
16beta-[(alpha-L-arabinopyranosyl)oxy]-3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxycholest-5-en-22-one 
16beta-[(O-(2-O-(E)-cinnamoyl-beta-D-xylopyranosyl)-(1->2)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]-3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxycholest-5-en-22-one 
16R,19E-isositsirikine 
17(18)-EpETE +  
17,24-epoxy-20alpha,25-dihydroxy-21-norbaccharan-3-one 
17,24-epoxy-25-hydroxy-21-methoxy-3,4-secobaccharane 
17,24-epoxy-25-hydroxybaccharan-3-one 
17-epi-17-hydroxyazadiradione 
17-hydroxyazadiradione 
17-hydroxycyclooctatin, (rel)- 
17-hydroxyjolkinolide A 
17-hydroxyjolkinolide B  
17-phenyl-18,19,20-trinor-prostaglandin D2 
17-phenyl-18,19,20-trinor-prostaglandin E2 
17-phenyl-trinor-prostaglandin F2alpha 
17alpha-ethynylestradiol 3-sulfate 
17alpha-hydroxypregnenolone +   
17alpha-hydroxyprogesterone  
17alpha-hydroxywithanolide D 
17beta-estradiol +   
17beta-estradiol 3-glucosiduronic acid  
17beta-hydroxy-5alpha-androstan-3-one +   
17beta-hydroxy-5beta-estran-3-one 
18,19-Epoxy macrolactin A 
18-acetoxy-1alpha,25-dihydroxyvitamin D3 
18-acetoxy-1alpha-hydroxyvitamin D3 
18-carboxy-19,20-dinor-leukotriene E4 
18-demethylgardfloramine 
18-demethylgardneramine 
18-hydroxy-18-oxo-dinorleukotriene B4 
18-hydroxycorticosterone 
18-hydroxymanool 
18-oxotryprostatin A 
19(E)-11-Methoxy-9,18-didemethoxygardneramine 
19(E)-18-demethoxygardfloramine 
19(E)-18-Demethoxygardfloramine-N(4)-oxide 
19(E)-18-demethoxygardneramine 
19(E)-9,18-Didemethoxygardneramine 
19,20-DiHDPA 
19,20-E-vallesamine 
19-(2-furyl)nonadeca-5,7-diynoic acid 
19-hydroxy-2,3-dinor-6-oxoprostaglandin F1alpha 
19-norandrosterone 
19-O-acetylchaetoglobosin B 
19-O-acetylchaetoglobosin D 
19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)- 
1alpha,23(S),25-trihydroxyvitamin D3 
1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 +  
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 
1alpha,2beta,25-trihydroxy vitamin D3 
1alpha-acetoxy-2alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran 
1alpha-hydroperoxy-guaia-10(15),11-diene 
1beta,6alpha-dihydroxy-4(14)-eudesmene 
1beta-Acetoxy-baccatin I 
1beta-hydroxy arbusculin A 
1beta-hydroxymaprounic acid 3-p-hydroxybenzoate 
1D-myo-inositol 1,3,4,5-tetrakisphosphate(8-) 
1D-myo-inositol 1,3,4-trisphosphate(6-) 
1D-myo-inositol 1,4,5,6-tetrakisphosphate(8-) 
1D-myo-inositol 1,4,5-trisphosphate(6-) 
1D-myo-inositol 1,4-bisphosphate(4-) 
1D-myo-inositol 1-phosphate  
1D-myo-inositol 1-phosphate(2-) 
1D-myo-inositol 3,4,5,6-tetrakisphosphate(8-) 
1D-myo-inositol 3,4-bisphosphate 
1D-myo-inositol 3-phosphate(2-) 
1D-myo-inositol 4-phosphate(2-) 
1D-myo-inositol 6-phosphate 
1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene 
1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene 
1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-beta-dihydroagarofuran 
2''',5'''-diepisilvestrol 
2'''-episilvestrol 
2''-acetylpaeonoside 
2''-acetylpetiolaroside 
2''-O-(4-sinapoylarabinosyl)isoscoparin 
2''-O-(6-feruloylglucosyl)isovitexin 
2''-O-(6-sinapoylglucosyl)isovitexin 
2''-O-(beta-D-glucosyl)isovitexin 
2''-O-alpha-L-arabinopyranosylisoscoparin 
2''-O-beta-D-glucosylisoscoparin 
2''O-acetylplatycodin D 
2''O-acetylpolygalacin D 
2''O-acetylpolygalacin D2 
2',3'-cyclic UMP(1-) 
2',3-dihydroxy-5-methoxybiphenyl 
2',4',6'-trihydroxy-3'-formyldihydrochalcone 
2',4'-dihydroxy-3'-(2-hydroxy benzyl)-6'-methoxy chalcone 
2',4,4',6'-tetrahydroxychalcone +   
2',4,4',6'-tetrahydroxychalcone(1-) 
2'-deoxyadenosine +   
2'-deoxyadenosine 5'-monophosphate(2-) +  
2'-deoxycytidine +   
2'-deoxycytosine 5'-monophosphate(2-) +  
2'-deoxyguanosine +   
2'-deoxyguanosine 5'-monophosphate(2-) +  
2'-deoxyinosine 
2'-deoxyinosine 5'-phosphate(2-) +  
2'-deoxyinosine-5'-diphosphate 
2'-deoxyinosine-5'-monophosphate 
2'-deoxyuridine +  
2'-epi-tuberatolide B 
2'-Hyddroxytaxine II 
2'-hydroxyneobavaisoflavanone 
2'-hydroxystemofoline 
2'-norberbamunine 
2'-O-methylguanosine +  
2'-O-methylinosine 
2'-O-methylisoliquiritigenin 
2'-phospho-cyclic ADP-ribose 
2,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone 
2,2,4-trihydroxybutanoic acid 
2,2-dihydroxy-3-methylbutanoate 
2,2-dimethylbutyric acid 
2,2-dimethylglutaric acid 
2,3,3-trimethylpentane 
2,3,4,5-tetranor-15-oxoprostaglandin F2alpha 
2,3,4,5-tetranor-prostaglandin FM 
2,3,5,7-Tetrabromobenzofuro[3,2-b]pyrrole 
2,3,5,8-tetramethyldecane 
2,3,5-trihydroxy-4-phosphonooxyadipic acid 
2,3,5-trimethylhexane 
2,3,9,10-tetrahydroxyberbine 
2,3-bisphosphoglyceric acid +   
2,3-bisphosphonato-D-glycerate(5-) 
2,3-dihydro-3beta-methoxy withaferin A 
2,3-dihydro-3beta-O-sulfate withaferin A 
2,3-dihydrobenzofuran  
2,3-dihydrobiochanin A 
2,3-Dihydroxybisabola-4,10-diene 
2,3-dihydroxybutanoic acid +  
2,3-diketogulonate 
2,3-dinor-6-oxoprostaglandin F1alpha +  
2,3-dinor-prostaglandin E2 
2,3-epoxymenatetrenone 
2,4,4',6-tetrahydroxydibenzoylmethane 
2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) 
2,4,5-trimethyl-1,3-dioxolane 
2,4,6-trimethyldecane 
2,4-diaminotoluene  
2,4-dihydroxybenzenesulfonic acid 
2,4-dimethyl-1-heptene 
2,4-dimethyl-3-pentanone 
2,4-dimethylbenzoic acid 
2,4-dimethylfuran 
2,4-dimethylhexane 
2,4-dimethylpentan-3-amine 
2,4-Dodecadienamide 
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone 
2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate 
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol 
2,5-dihydroxybenzaldehyde  
2,5-dihydroxybenzenesulfonic acid 
2,5-dihydroxybenzoate 
2,5-dihydroxybenzoic acid +   
2,5-epoxy-2beta-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-4(15),10(14),11(13)-germacratrien-12,6alpha-olide 
2,6,10,14-tetramethylheptadecane 
2,6,10,15-tetramethylheptadecane 
2,6,8-trimethyldecane 
2,6-dichloro-4'-biphenylol 
2,6-dihydroxybenzenesulfonic acid 
2,6-dihydroxybenzoic acid  
2,6-dimethyl-1,3,5,7-octatetraene 
2,6-dimethyl-5-hepten-1-ol 
2,7,10-trimethyldodecane 
2-((1S,3aR,5E,9E,12aS)-3a,6,10-trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl)propan-2-ol 
2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol 
2-(1-phenylethyl)-1,3-dioxolane 
2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran 
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid 
2-(2-ethoxy-1-methoxyethyl)furan 
2-(2-hydroxyphenyl)ethanol 
2-(2-methoxyethoxy)propanoic acid 
2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside 
2-(3-methylbut-2-enyl)-4-(2-methylbut-3-en-2-yl)phenol 
2-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)cyclohexa-2,5-diene-1,4-dione 
2-(4-methoxyphenyl)propan-2-ol 
2-(4-methyl-1-piperazinyl)ethanamine 
2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide 
2-(7-aminoheptyl)guanidine 
2-(carboxyethoxy)propanal 
2-(dichloromethyl)tetrahydrofuran 
2-(difluoromethyl)lysine 
2-(hydroxymethyl)anthraquinone 
2-(methyldithio)pyridine-N-oxide 
2-(pentyloxy)ethyl acetate 
2-[3-ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol 
2-[4'-(Methylamino)phenyl]quinazolin-4(3H)-one 
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide +   
2-\{4-[(3R)-piperidin-3-yl]phenyl\}-2H-indazole-7-carboxamide 
2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
2-acetamido-2-deoxy-D-glucopyranose 1-phosphate +  
2-acetamido-5-oxopentanoate 
2-acetamidoglucal 
2-acetamidophenol  
2-acetoxypropanal 
2-acetyl-1-pyrroline 
2-amino-2-hydroxybutanoic acid 
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid +  
2-amino-3-cyano-7-(dimethylamino)-4-(2-methoxyphenyl)-4H-chromene 
2-amino-3-oxoadipic acid 
2-amino-3-phosphonopropanoic acid 
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene  
2-amino-4-formylaminooxy-but-3E-enoic acid 
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid 
2-amino-5-chloro-cis,cis-muconic 6-semialdehyde 
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropteridin-4-one 
2-aminoacrylic acid +  
2-aminoethanesulfonate +  
2-aminomuconate 6-semialdehyde(1-) 
2-aminonicotinic acid 
2-aminooctanoic acid 
2-aminooctanoic acid zwitterion 
2-ammonio-2-deoxy-D-glucopyranose +  
2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-) +  
2-arachidonoylglycerol +   
2-arachidonyl-sn-glycero-3-phosphoethanolamine 
2-beta-benzoyloxy Ejpa-2 
2-Bromo-N-methyltryptamine 
2-butyl-1-octanol +  
2-butylfuran 
2-chloroacrylic acid 
2-cis,6-trans,10-trans-geranylgeranyl diphosphate 
2-decanyl propionate 
2-decaprenyl-6-methoxy-1,4-benzoquinone 
2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone 
2-decaprenyl-6-methoxyphenol 
2-dehydro-L-gluconic acid 
2-deoxy-alpha-L-fucosylaclacinomycin S 
2-deoxy-D-galactopyranose 
2-deoxy-D-glucopyranose 
2-deoxy-D-ribofuranose 
2-deoxy-D-ribofuranose 1-phosphate(2-) 
2-deoxy-D-ribonate 
2-deoxy-D-ribonic acid 
2-deoxy-D-ribono-1,4-lactone 
2-deoxy-D-ribose +  
2-deoxy-D-ribose 5-phosphate +  
2-deoxy-D-ribose 5-phosphate(2-) 
2-ethyl-2-hexenal +  
2-ethylacryloylcarnitine 
2-ethylhexyl acetate 
2-ethylhydracrylate 
2-ethylhydracrylic acid 
2-ethylisonicotinic acid 
2-ethyloctanedioic acid 
2-fluoroadenine +  
2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine +  
2-formamidophenyl-2'-thiazolylketone 
2-heptyl-4-hydroxyquinoline 
2-heptyl-4-quinolone 
2-heptylfuran 
2-hexylfuran 
2-hydroxy-17beta-estradiol +   
2-hydroxy-2,6-dimethylbenzofuran-3(2H)-one 
2-hydroxy-2-methylbutyric acid 
2-Hydroxy-3,4,6,9-tetramethoxydibenzofuran 
2-Hydroxy-3,4,6-trimethoxydibenzofuran 
2-Hydroxy-3,4,9-trimethoxydibenzofuran 
2-hydroxy-3-methylbutyrate 
2-hydroxy-3-methylbutyric acid +  
2-hydroxy-4-methylvalerate +  
2-hydroxy-4-methylvaleric acid +   
2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine 
2-hydroxy-6-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]benzoic acid 
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid 
2-hydroxyacrylic acid 
2-hydroxybehenic acid +  
2-hydroxybenzenesulfonic acid 
2-hydroxybutyrate +  
2-hydroxybutyric acid +  
2-hydroxyestrone +   
2-hydroxyglutaramic acid 
2-hydroxyglutaric acid +   
2-hydroxyheptanoic acid 
2-hydroxyhexadecanoate +  
2-hydroxyhexadecanoic acid +  
2-hydroxylinoleic acid 
2-hydroxymelatonin 
2-hydroxynonanoic acid 
2-hydroxyoctadecanoate +  
2-hydroxyoctadecanoic acid +  
2-hydroxyoctanedioic acid 
2-hydroxyoleic acid 
2-hydroxypentanoate +  
2-hydroxyphytanoyl-CoA(4-) 
2-hydroxyrubiarbonone E 
2-isopropyl-1,3-dioxolane 
2-isopropyl-5-methyl-1-heptanol 
2-isopropylaminoethylamine 
2-isopropylmalic acid +  
2-linoleoyl-sn-glycero-3-phosphoethanolamine 
2-methoxy-1,4-naphthoquinone  
2-methoxy-17beta-estradiol +   
2-methoxyestrone +   
2-methyl-1,3-thiazolidine-2-carboxamide 
2-methyl-1-pentene 
2-methyl-3-hydroxy indole 
2-methyl-3-ketovaleric acid 
2-methyl-3-oxopropanoate +  
2-methyl-3-sulfanylbutan-1-ol 
2-methyl-4-propyl-1,3-oxathiane 
2-methyl-5-propionylfuran 
2-methyl-6-pentadecyl-2,3,4,5-tetrahydropyridine 
2-methylacetoacetyl-CoA(4-) 
2-methyladenosine 5'-monophosphate +  
2-methylbut-2-enoic acid +  
2-methylbutan-2-amine 
2-methylbutanoyl-CoA(4-) +  
2-methylbutyl 2-acetyloxyacetate 
2-methylbutyl acetate 
2-methylbutyl decanoate 
2-methylbutyric acid +   
2-methylbutyrylcarnitine +  
2-methylcitrate(3-) +  
2-methylcrotonoyl-CoA(4-) 
2-methylerythritol 
2-methylhexenoyl-CoA 
2-methylhistamine 
2-methylnicotinamide 
2-methylthiolan-3-one 
2-methyltridecane 
2-nonene-4,6,8-triynal 
2-O-acetylbulbisine Trifluoroacetic acid 
2-O-acetylcrinamabine Trifluoroacetic acid 
2-O-benzoyl-2-deacetylmayteine 
2-O-caffeoyl maslinic acid 
2-O-methylcytosine 
2-octanone 
2-octene +  
2-oxoadipate(2-) 
2-oxobut-3-enoic acid 
2-oxobutanoate 
2-oxoglutaramate +  
2-oxoglutarate(2-) 
2-oxopentanoic acid 
2-phenylethanaminium 
2-phenylethyl formate 
2-phenylethyl pivalate 
2-phenylethylamine +   
2-phospho-D-glyceric acid 
2-phosphonato-D-glycerate(3-) 
2-phosphonatoglycolate(3-) 
2-pyridylacetylglycine 
2-pyridylethylamine  
2-stearoyl-sn-glycero-3-phosphocholine 
2-sulfomethyl-L-thioproline 
2-tetradecanoyl-sn-glycero-3-phosphocholine 
2-trans,6-trans,10-trans-geranylgeranyl diphosphate(3-) 
2-trans,6-trans-farnesyl diphosphate(3-) 
20(R),22(xi),24(S)-dammar-25(26)-ene-3beta,6alpha,12beta,20,22,24-hexanol 
20(R)-tubotaiwine 
20(S),25-dihydroxyvitamin D3 
20(S)-tubotaiwine 
20,21,22,23-tetrahydro-23-oxoazadirone 
20,22-dihydrodigoxin 
20-dihydrochaetoglobosin A 
20-epi-bryonolic acid 
20-epi-isoiguesterinol 
20-HDoHE 
20-HETE +   
20-hydroxy-leukotriene B4 
20-hydroxy-leukotriene B4(1-) 
20-hydroxy-leukotriene E4(1-) 
20-hydroxycholesterol  
20-hydroxytubocapsanolide A 
20-methoxy-fijianolide A 
20-methyl-21,22-didehydro-20,21-dihydrobotryococcene 
20-oxoleukotriene B4 
20beta-dihydroprednisolone 
20S,24S-epoxy-25-hydroxy-A-homo-4-oxadammaran-3-one 
21beta-hydroxyolean-12-en-3-one 
22-hydroxydocosanoic acid 
22-tricosenoic acid 
22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one 
22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)- 
22alpha-methoxy-3-beta-O-\{beta-D-Xylp(1->3)-[beta-D-Glcp-(1->2)]-beta-D-Glcp-(1->4)-beta-D-Glcp\}-furost-3beta,26-diol 26-O-beta-D-Glcp 
23(S),25-dihydroxy-24-oxovitamin D3 
23,24-dimethylcholest-16(17)-E-en-3beta,5alpha,6beta,20(S)-tetrol 
23-Aldehydepomolic acid 
23-Deoxypaeonenoide A, (rel)- 
23-epi-26-deoxyactein  
23-epivepaol 
23-Hydroxybetulinic acid 
23-hydroxytubocapsanolide A 
23-O-acetylshengmanol 3-O-beta-D-xylopyranoside 
24,25-dihydrolanosterol +   
24-ethylcholesta-4,22-dien-3-one 
25-hydroxycholesterol  
25-O-acetylcimigenol 3-O-alpha-L-arabinopyranoside 
25-O-anhydrocimigenol 3-O-alpha-L-arabinopyranoside 
25-O-anhydrocimigenol 3-O-beta-D-xylopyranoside 
25-O-methoxycimigenol 3-O-alpha-L-arabinopyranoside 
26-Deoxyactein 
26-desglucoavenacoside A 
26-desglucoavenacoside B 
26-desglucoprotodioscin 
26-hydroxycholesterol +   
26-hydroxyhexacosanoic acid 
28,29-dihydroxyfriedelan-3-one 
28-deoxonimbolide  
2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic acid 
2alpha,3beta,5alpha,7beta,15beta-pentaacetoxy-9alpha-nicotinoyloxyjatropha-6(17),11-dien-14-one 
2alpha,7beta-dihydroxytaxusin 
2alpha-(2'-pyrrolyl)-4alpha-methoxycarbonyl-5beta-[(2''-methyl)-heptyl]-1,3-oxazacyclohexane 
2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 
2alpha-acetoxy-1alpha-hydroxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran 
2alpha-Acetoxy-2'beta-deacetylaustrospicatine 
2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide 
2alpha-hydroxymaprounic acid 2,3-bis-p-hydroxybenzoate 
2alpha-hydroxytaxusin 
2beta-hydroxypomolic acid 
2beta-hydroxytestosterone 
2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate 
2beta-methoxy-2-deethoxyphantomolin 
2H-imidazol-4-ylacetic acid 
2S-Isopropenyl-4,8-dimethoxy-5-hydroxy-6-methyl-2,3-dihydrobenzo[1,2-b:5,4-b']difuran 
2S-Isopropenyl-4,8-dimethoxy-5-methyl-2,3-dihydrobenzo-[1,2-b:5,4-b']difuran 
3''O-acetylplatycodin D 
3''O-acetylpolygalacin D 
3''O-acetylpolygalacin D2 
3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol 
3',4',5,7-tetrahydroxy-3-methoxyflavone +  
3',4',5,7-tetrahydroxy-3-methoxyflavone-7-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside 
3',4',5-trihydroxy-3,6,7-trimethoxyflavone 
3',4',5-trihydroxy-3,7-dimethoxyflavone  
3',4',7-trihydroxyisoflavone  
3',4'-difluoro-N-\{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl\}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide 
3',5'-cyclic AMP +   
3',5'-cyclic AMP(1-) 
3',5'-cyclic CMP 
3',5'-cyclic dTMP 
3',5'-cyclic GMP +   
3',5'-cyclic GMP(1-) +  
3',5'-di-O-methyltricetin +   
3',5-dihydroxy-3,4',5',7-tetramethoxyflavone 
3'-(3-methyl-2-butenyl)-4'-O-beta-D-glucopyranosyl-4,2'-dihydroxychalcone 
3'-AMP 
3'-AMP(2-) 
3'-CMP +   
3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin  
3'-dephospho-CoA 
3'-dephospho-CoA(2-) 
3'-hydroxyflavanone +   
3'-N-debenzoyl-2'-deoxytaxol 
3'-N-debenzoyltaxol +  
3'-O-methylepicatechin 
3'-O-methylguanosine 
3'-O-methyltricetin +  
3'-O-methyltricetin 3-O-alpha-L-rhamnopyranoside 
3'-phosphonato-5'-adenylyl sulfate(4-) 
3'-UMP(2-) 
3,13,19-trimethyltricosanoic acid 
3,17-dioxoandrost-4-en-19-al 
3,20-dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene 
3,21-dioxoolean-18-en-28-oic acid 
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene 
3,3',5'-triiodothyronine +   
3,3',5,5'-tetraiodothyroacetic acid  
3,3',5-triiodo-L-thyronine +   
3,3',5-triiodo-L-thyronine sulfate 
3,3',5-triiodo-L-thyronine zwitterion +  
3,3'-diindolylmethane  
3,3'-diiodo-L-thyronine +  
3,3'-dimethylquercetin 
3,3'-neotrehalosadiamine 
3,3-dimethoxy-1-phenylpropane-1,2-dione 
3,3-dimethylglutaric acid 
3,4'-dimethylkaempferol 
3,4,5,6-tetrahydrohippuric acid 
3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol 
3,4,5-trimethoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside 
3,4-bis(methoxycarbonyl)benzoic acid 
3,4-dihydroxy-5-prenylcinnamic acid 
3,4-dihydroxyacetophenone  
3,4-dihydroxybenzenesulfonic acid 
3,4-dihydroxybenzoic acid +   
3,4-dihydroxybutyric acid 
3,4-dihydroxycinnamaldehyde 
3,4-dihydroxymandelaldehyde +  
3,4-dihydroxymandelate +  
3,4-dihydroxymandelic acid  
3,4-dihydroxyphenylacetaldehyde  
3,4-dihydroxyphenylethyleneglycol +   
3,4-dihydroxyphenylpyruvic acid +  
3,4-methylenedioxymandelic acid 
3,4-seco-sonderianol 
3,4-secoisopimara-4(18),7,15-triene-3-oic acid 
3,5-di-O-acetyl-1-O-[(5beta,8alpha,9beta,10alpha)-18-oxokaur-16-en-18-yl]-beta-L-arabinofuranose 
3,5-di-O-caffeoyl quinic acid +  
3,5-dichlorobenzoic acid 
3,5-dihydroxy-2-(1'-oxo-3'-hexadecenyl)-2-cyclohexene-1-one 
3,5-dihydroxybenzenesulfonic acid 
3,5-dihydroxybenzoic acid  
3,5-diiodo-L-tyrosinate(1-) 
3,5-diiodo-L-tyrosine +  
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside 
3,5-dimethylbenzaldehyde 
3,5-dimethyloctane 
3,5-dimethyluracil 
3,5-dioxooctanedioic acid 
3,7,11-trimethyldodecan-1-ol 
3,7-dihydroxychromen-4-one 
3,7-dihydroxytropolone 
3,7-dimethyl-3-octanol 
3,7-dimethylisoguanine 
3,7-dimethyluric acid 
3,8-dimethyldeca-4,6-diyne-3,8-diol 
3,8-dimethylundecane 
3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)- 
3-(1H-indol-3-yl)propanoate 
3-(1H-indol-3-yl)propanoic acid  
3-(2,3-dihydroxyphenyl)propanoic acid 
3-(2-methoxyethoxy)propanoic acid 
3-(2-methylpropyl)cyclohexene 
3-(3,4,5-timethoxyphenyl)propanoylpyrrole 
3-(3,4-dimethoxyphenyl)-4-[(E)-3,4-dimethoxystyryl]cyclohex-1-ene 
3-(3,4-dimethoxyphenyl)-4-[(Z)-3,4-dimethoxystyryl]cyclohex-1-ene 
3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine) 
3-(3-sulfooxyphenyl)propanoic acid 
3-(4-(2-(4-(2-hydroxy-3-methoxypropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diol 
3-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine 
3-(4-hydroxy-3,5-dimethoxyphenyl)propanoylpyrrole 
3-(4-hydroxyphenyl)lactate +  
3-(4-hydroxyphenyl)lactic acid +  
3-(4-hydroxyphenyl)pyruvate 
3-(4-tert-butylamino-6-methylthiol-s-triazin-2-ylamino)propionaldehyde 
3-(imidazol-1-yl)lactic acid 
3-(imidazol-5-yl)lactic acid +  
3-(indol-3-yl)lactate 
3-(indol-3-yl)lactic acid  
3-(methylthio)propionate 
3-(pyrimidin-2-yl)propanoic acid 
3-(Z)-caffeoyllupeol 
3-[(2-hydroxyethyl)disulfanyl]-L-alanine 
3-[(2-hydroxyethyl)thio]-1-propanol 
3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid  
3-\{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl\}-L-alanine 
3-acetamino-6-isobutyl-2,5-dioxopiperazine 
3-acetoxylabda-8(20),13-dien-15-oic acid 
3-acetyl-7-tigloylvilasinin lactone 
3-acetyleriocasin C, (rel)- 
3-acetyltrichorabdal C 
3-alpha-O-acetyl-alpha-boswellic acid 
3-amino-4,7-dihydroxy-8-methylcoumarin 
3-amino-4,7-dihydroxycoumarin +  
3-aminobutanoic acid +  
3-aminoisobutyrate +  
3-aminoisobutyric acid +  
3-aminooctanoic acid 
3-aminopiperidine-2-one 
3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid 
3-Bromo-N-methyltyramine 
3-bromopyruvic acid  
3-Carbomethoxy-6-benzyl-4-pyrone 
3-carboxy-1-hydroxypropylthiamine diphosphate 
3-carboxy-4-methyl-5-propyl-2-furanpropanoate 
3-chloro-L-tyrosine 
3-cyano-2-butanone 
3-cyano-L-alanine +  
3-decanone 
3-decaprenyl-4,5-dihydroxybenzoic acid +  
3-decaprenyl-4-hydroxy-5-methoxybenzoic acid 
3-dehydro-4-methylzymosterol +  
3-dehydro-L-gulonate 
3-dehydrocarnitine +   
3-dehydrocarnitinium 
3-dehydrosphinganinium(1+) +  
3-demethylubiquinone-10 
3-deoxy-D-arabino-hexonic acid 
3-deoxychenodeoxycholic acid 
3-dimethylsulfoniopropionaldehyde 
3-disulfanyl-L-alanine +  
3-epi-gitingensine 
3-epi-heliangin 
3-epioleanolic acid 
3-ethoxy-1-propanol 
3-ethoxy-2-butanone 
3-ethyl-1,5-octadiene 
3-ethylcytosine 
3-ethylpentane 
3-Formyl-1-hydroxy-7-methoxycarbazole 
3-formylthiophene 
3-fucosyllactose +  
3-furaldehyde 
3-furoic acid +  
3-geranyl-2,4,6-trihydroxybenzophenone 
3-hydroxy-2',5-dimethoxybiphenyl 
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone 
3-hydroxy-2-methyl-4-pyrone +  
3-hydroxy-2-methylpropanoyl-CoA(4-) 
3-hydroxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone 
3-hydroxy-3-(thiazol-2-yl)indolin-2-one 
3-hydroxy-3-methylglutarate(1-) 
3-hydroxy-3-methylglutarate(2-) 
3-hydroxy-3-methylglutaric acid +  
3-hydroxy-3-methylhexanoic acid +  
3-hydroxy-5-methoxybiphenyl 
3-hydroxy-cis-5-octenoylcarnitine 
3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine 
3-hydroxyanthranilate 
3-hydroxyanthranilic acid 
3-hydroxyarachidonoylcarnitine 
3-hydroxybenzenesulfonic acid 
3-hydroxybenzyl alcohol 
3-hydroxybutyrate +  
3-hydroxybutyric acid +   
3-hydroxybutyrylcarnitine 
3-hydroxydecanoylcarnitine 
3-hydroxydocosanoyl-CoA +  
3-hydroxydodecanoylcarnitine 
3-hydroxyeicosanoylcarnitine 
3-hydroxyhexadecanoylcarnitine 
3-hydroxyicosanoic acid +  
3-hydroxyicosanoyl-CoA +  
3-hydroxyisobutyrate +  
3-hydroxyisovalerate 
3-hydroxyisovaleric acid +   
3-hydroxyisovalerylcarnitine 
3-hydroxykynurenamine 
3-hydroxykynurenine +   
3-hydroxylabda-8(20),13-dien-15-oic acid 
3-hydroxylinoleoylcarnitine 
3-hydroxymandelic acid 
3-hydroxymethyl-4-methyl-furan-2(5H)-one 
3-hydroxyoctadecanoyl-CoA +  
3-hydroxyoctadecanoylcarnitine 
3-hydroxypalmitoleoylcarnitine 
3-hydroxyphenylpyruvic acid 
3-hydroxypropanoyl-CoA(4-) 
3-hydroxypropionate 
3-hydroxypropionic acid +   
3-hydroxypyruvate 
3-hydroxypyruvic acid  
3-hydroxysuberic acid 
3-hydroxytetracosanoyl-CoA 
3-hydroxytetradecanoic acid +  
3-hydroxytetradecanoylcarnitine 
3-indole carboxylic acid glucuronide 
3-iodo-L-tyrosine +  
3-keto-beta-D-galactose 
3-mercaptopentanol 
3-mercaptopyruvate 
3-mercaptopyruvic acid 
3-methoxy-3-methylhexane 
3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol 
3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one 
3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol 
3-methoxysalicylic acid 
3-methyl-1,2-didehydro-2,3-dihydrobotryococcene 
3-methyl-1,2-didehydro-2,3-dihydrosqualene 
3-methyl-1-butyne 
3-methyl-2-oxobutanoate 
3-methyl-2-oxobutanoic acid  
3-methyl-2-oxovalerate +  
3-methyl-2-oxovaleric acid +   
3-methyl-3-sulfanylhexan-1-ol 
3-methyl-4-\{[(1Z)-prop-1-en-1-yl]oxy\}butanal 
3-methyl-7H-xanthine 
3-methyl-9H-xanthine 
3-methyl-pyrazole-4-carboxylic acid 
3-methyladenine  
3-methylbut-2-enal 
3-methylbut-2-enoyl-CoA(4-) 
3-methylbutane-1,2-diol +  
3-methylbutyl 2-hydroxypropanoate 
3-methylbutyl dodecanoate 
3-methylbutyl hexanoate 
3-methylbutyl octanoate 
3-methylcrotonyl glycine 
3-methylcytosine 
3-methyleneheptane 
3-methyleneindolenine  
3-methylglutaric acid +   
3-methylguanine +  
3-methylheptyl acetate 
3-methylhexane 
3-methylhistidine 
3-methylhistidine zwitterion 
3-methylmalate(2-) 
3-methylmalic acid +  
3-methylpentane 
3-methylpyrrolo[1,2-a]pyrazine 
3-methylsuccinic anhydride 
3-methylthiopropyl acetate 
3-methyluracil 
3-O-(alpha-L-oleandrosyl)erythronolide B 
3-O-(alpha-L-oleandrosyl)oleandolide 
3-O-(alpha-L-olivosyl)erythronolide B 
3-O-(alpha-L-olivosyl)oleandolide 
3-O-(cis-4-coumaroyl)-beta-D-glucopyranose 
3-O-(trans-4-coumaroyl)-beta-D-glucopyranose 
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid 
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone 
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-beta-D-glucopyranosyl oleanolic acid 
3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid 
3-O-[alpha-L-arabinopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl oleanolic acid 
3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid 
3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone 
3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-beta-D-glucopyranosyl oleanolic acid 
3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid 
3-O-acetyluncaric acid 
3-O-beta-D-galactopyranosyl-sn-glycerol 
3-O-feruloylcycloartenol 
3-O-methyl-isosecotanapartholide 
3-O-methyldopa 
3-O-methyldopa zwitterion 
3-O-methylquercetin-7-O-beta-D-glucopyranoside 
3-O-sinapoylquinic acid 
3-O-trans-p-coumaroyl actinidic acid 
3-O-trans-p-coumaroyltormentic acid 
3-oxo-15-hydroxy-T-muurolol 
3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone 
3-oxoadipic acid +  
3-oxobutyl acetate 
3-oxochola-4,6-dien-24-oic acid 
3-oxodecanoyl-CoA 
3-oxodocosanoyl-CoA 
3-oxodotriacontanoyl-CoA 
3-oxohexacosanoyl-CoA 
3-oxohexanoyl-CoA 
3-oxoicosanoyl-CoA 
3-oxolauroyl-CoA 
3-oxooctadecanoyl-CoA 
3-oxooctanoyl-CoA 
3-oxopalmitoyl-CoA(4-) 
3-oxopristanoyl-CoA(4-) 
3-oxopropanoate 
3-oxotetracosanoyl-CoA 
3-oxotetradecanoyl-CoA 
3-p-coumaroylquinic acid 
3-palmitoyl-sn-glycerol +   
3-penten-1-yne +  
3-phenyldecane 
3-phenyllactic acid +  
3-phenylpropionate +  
3-phenylpropionic acid +   
3-phenylpropyl acetate 
3-phosphonato-D-glycerate(3-) 
3-phosphonato-D-glyceroyl phosphate(4-) 
3-phosphonatooxypyruvate(3-) 
3-pyridylacetylglycine 
3-sulfino-L-alanine +  
3-sulfino-L-alanine(1-) +  
3-sulfinylpyruvic acid 
3-sulfonatopyruvate(2-) 
3-sulfopropanediol +  
3-sulfopropanoic acid 
3-ureidoisobutyric acid 
30-nor-Hederagenin 
31-demethylbuxaminol 
32-hydroxy-ent-guttiferone M 
3alpha,12alpha-dihydroxy-5beta-chol-6-en-24-oic acid 
3alpha,6alpha-epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide 
3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene 
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA +  
3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-) 
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA +  
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al +  
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid +  
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA +  
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane-5-carboxylic acid 
3alpha,7alpha,12beta-trihydroxy-5beta-cholanate 
3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid 
3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA 
3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA 
3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA 
3alpha,7alpha-dihydroxy-5beta-cholestan-26-al 
3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid +  
3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA +  
3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic acid 
3alpha-Acetoxymaoesin A, (rel)- 
3alpha-hydroxy-5beta-androstan-17-one +   
3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid 
3alpha-hydroxy-5beta-pregnan-20-one  
3alpha-hydroxyolean-11,13(18)-dien-28-oic acid 
3alpha-hydroxyolean-11-en-28,13beta-olide 
3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one 
3beta,12-dihydroxy-13-methyl-6,8,11,13-podocarpatetraene 
3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid 
3beta,23-dihydroxy-30-nor-olean-12,20-dien-28-oic acid 
3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid 
3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid 
3beta,6beta-dihydroxy-5beta-cholan-24-oic acid 
3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid 
3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid 
3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyloxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->3)-4,6-dideoxy-2-O-methyl-beta-D-gulopyranosyl)]-5beta,14beta-dihydroxy-19-oxocard-20(22)enolide 
3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alphahydroxy-16beta-[(O-(3-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-Acetoxyeriocasin D 
3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate 
3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid 
3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate 
3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid 
3beta-hydroxy-5beta-pregnan-20-one +  
3beta-hydroxylanost-8-en-32-al  
3beta-O-\{alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-Arap\}primulagenin A 
3beta-O-cis-caffeoylbetulinic acid 
3beta-O-trans-caffeoylbetulinic acid 
3PO 
3S-hydrangenol 4'-O-alpha-L-rhamnopyranoysl-(1->3)-beta-D-glucopyranoside 
4''-dehydro-3-hydroxyterphenyllin 
4',3''-di-O-methylapocynin-B 
4',3''-di-O-methylapocynin-D 
4',5'-dihydro-11,5'-dihydroxy-4'-methoxytephrosin 
4',5,7-trihydroxy-3'-methoxyflavone +   
4',5,7-trihydroxy-3-methoxyflavone-7-O-alpha-L-arabinofuranosyl(1->6)-beta-D-glucopyranoside 
4',5,7-trihydroxy-3-methoxyflavone-7-O-beta-D-glucopyranoside 
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside 
4',6,7-trihydroxyisoflavone 
4',7-dihydroxyflavone 
4'-demethyldeoxypodophyllotoxin 
4'-demethylepipodophyllotoxin +   
4'-demethylpodophyllotoxin 
4'-epidoxorubicin  
4'-hydroxyasperentin 
4'-hydroxychalcone  
4'-hydroxydiclofenac quinone imine 
4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)isovitexin 
4'-O-beta-glucosyl-7-O-(6-O-sinapoylglucosyl)tricin 
4'-O-demethylknipholone-4'-O-beta-D-glucopyranoside 
4'-O-demethylsordarin 
4'-O-methylepicatechin-3-O-gallate 
4'-O-methylepigallocatechin 
4'-O-methylepigallocatechin-3-O-ferulate 
4'-O-methylepigallocatechin-3-O-gallate 
4'-O-methylgallocatechin 
4'-O-methylrobinetinidol 3'-O-beta-D-glucopyranoside 
4(15)-eudesmene-1beta,7alpha-diol 
4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid 
4,4',6-Tribromo-2,2'-biphenol 
4,4'-dihydroxybenzyl sulfone 
4,4'-methylene-bis-(2-chloroaniline)  
4,4'-sulfonyldiphenol  
4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol  
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl  
4,5,9,10-dehydroisolongifolene 
4,5-dimethyl-1-hexene 
4,5-dimethyl-2-pentadecyl-1,3-dioxolane 
4,6,8-trimethyl-1-nonene 
4,6,8-trimethylazulene 
4,6-Diene-1beta,14-dihydroxyeudesma-3-one 
4,6-dimethyldodecane 
4,6-dimethylundecane 
4,6-dioxoheptanoic acid  
4,6-secoangustilobinal A 
4,7-dioxooctanoic acid 
4,8,12-trimethyltrideca 1,3,7,11-tetraene 
4,8,12-trimethyltridecanoyl-CoA(4-) 
4-(1-hydroxyethyl)-gamma-butanolactone 
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide 
4-(2-aminophenyl)-2,4-dioxobutanoate 
4-(acetyloxy)-13alpha-\{[(2R,3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy\}-1,7beta,10beta-trihydroxy-9-oxo-4alpha,5beta-5,20-epoxytax-11-en-2alpha-yl benzoate 
4-(beta-D-glucopyranosyloxy)-3-methoxybenzoic acid 
4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide 
4-(trimethylammonio)butanoate  
4-(trimethylammonio)butanoic acid +  
4-\{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino\}benzoic acid  
4-acetamidobutanal 
4-acetamidobutanoate 
4-acetamidobutanoic acid 
4-amino-TEMPO +   
4-aminonicotinic acid 
4-aminophenol +   
4-ammoniobutanal 
4-butyl-gamma-butyrolactone 
4-chlorobutanol 
4-coumaroyl-CoA(4-) +  
4-deoxypyridoxine 
4-epiisoinuviscolide 
4-ethyl-1-hexene 
4-ethylphenyl sulfate 
4-ethylphenyl sulfate(1-) 
4-fumarylacetoacetate(2-) 
4-HDoHE 
4-hexen-3-one +  
4-hydroperoxycyclophosphamide  
4-hydroxy-17beta-estradiol +   
4-hydroxy-2-methoxyphenyl 1-O-beta-D-glucopyranoside 
4-hydroxy-2-methylacetophenone 
4-hydroxy-2-oxoglutarate(2-) +  
4-hydroxy-4-methyl-L-glutamic acid +  
4-hydroxy-5-methyl-3-furanone 
4-hydroxy-6-(2-oxoheptyl)pyran-2-one 
4-hydroxy-6-pentylpyran-2-one 
4-hydroxy-8-methoxyquinaldic acid 
4-hydroxy-L-prolinate 
4-hydroxy-L-proline zwitterion 
4-hydroxy-TEMPO +   
4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside 
4-hydroxycyclophosphamide  
4-hydroxydebrisoquin 
4-hydroxymandelic acid +  
4-hydroxymethyl-2-methoxyphenyl-1-O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside 
4-hydroxynon-2-enal +   
4-hydroxyphenyl retinamide  
4-hydroxyphenylacetate 
4-hydroxyphenylacetic acid +   
4-hydroxyphenylpyruvic acid +  
4-hydroxyphenytoin  
4-hydroxyproline +  
4-hydroxytolbutamide  
4-iodo-6-phenylpyrimidine 
4-maleylacetoacetate 
4-methoxy-17beta-estradiol +   
4-methoxyestrone +  
4-methoxymagnaldehyde B 
4-methoxytyramine  
4-methyl-2-oxopentanoate 
4-methyl-2-oxopentanoic acid  
4-methyl-3-penten-1-amine 
4-methyl-5-pentylbenzene-1,3-diol 
4-methyl-pyrazole-3-carboxylic acid 
4-methylaeruginoic acid 
4-methylcatechol +   
4-methylhistamine  
4-methylpentan-1-ol 
4-methylpentanal  
4-methylthio-2-oxobutanoate +  
4-methylumbelliferone +   
4-methylumbelliferone beta-D-glucuronide  
4-methylundecane 
4-nitrophenyl hydrogen sulfate  
4-O-alpha-D-glucopyranosylmoranoline 
4-O-methyl-L-dopa 
4-O-methylrhodomycin D 
4-O-trans-caffeoylquinic acid +  
4-octylphenol +   
4-oxobutanoate 
4-oxopentanal 
4-oxoproline +  
4-penten-1-yl acetate 
4-penten-2-one 
4-phenylbutyric acid  
4-pyridoxate 
4-senecioyloxymethyl-6,7-dimethoxycoumarin 
4-terpineol +   
4-trifluoromethylaniline 
4-trimethylammoniobutanal 
4849F 
4a-dehydroxycrinamabine Trifluoroacetic acid 
4a-hydroxytetrahydrobiopterin +  
4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol 
4alpha-formyl-5alpha-cholest-8-en-3beta-ol 
4alpha-hydroxy-5beta-5,20-epoxytax-11-en-9-one 
4alpha-hydroxymethyl-4beta-methyl-5alpha-8-cholesten-3beta-ol 
4alpha-hydroxymethyl-4beta-methylzymosterol 
4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol 
4alpha-methyl-5alpha-cholest-8-en-3-one 
4alpha-methyl-5alpha-cholest-8-en-3beta-ol 
4alpha-methylzymosterol +  
4beta,10alpha-dihydroxy-5alphaH-guai-1(2),11(13)-dien-12,8alpha-olide 
4beta,14-dihydroxy-6alpha,7beta-H-1(10)-cadinene 
4beta-[(beta-D-glucopyranosyl)hydroxy]-pinoresinol 
4beta-hydroxycholesterol  
4beta-methylzymosterol-4-carbaldehyde 
4E,15Z-bilirubin IXa 
4S(5)-epoxy-17R-hydroxydocosahexaenoic acid 
5''-(2''''-Hydroxybenzyl)uvarinol 
5''-dihydrohygromycin A 
5'-acetylphosphoadenosine 
5'-adenylyl sulfate(2-) 
5'-deoxyadenosine 
5'-ethylthioadenosine 
5'-S-methyl-5'-thioadenosine  
5'-xanthylate(2-) 
5'-xanthylic acid +  
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid 
5(S)-HETE 
5(S)-HPETE(1-) 
5(S)6-epoxy-18(S)-HEPE 
5,15-DiHETE 
5,5'-(ethane-1,2-diyl)bis(3-bromobenzene-1,2-diol) 
5,5'-dibutoxy-2,2'-bifuran 
5,6,3'-trihydroxy-7,8,4'-trimethoxyflavone 
5,6,7,4'-tetrahydroxyflavonol-3-O-rutinoside 
5,6,7,8-tetrahydrobiopterin +   
5,6,7-trimethoxycoumarin 
5,6-anhydrolandomycinone 
5,6-dihydrothymine 
5,6-dihydrouracil 
5,6-dihydroxyindole-2-carboxylate +  
5,6-dimethylbenzimidazole 
5,6-Ep-15S-HETE 
5,6-epoxyretinoic acid +  
5,6-trans-vitamin D3 
5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone 
5,7,3'-trihydroxy-3,5'-dimethoxy-2'-(3'-methylbut-2-enyl)flavone 
5,7,3'-trihydroxy-4',5'-(2'''',2''''-dimethylpyran)-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone 
5,7,3'-trihydroxy-4'-methoxy-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone 
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutanoyl)-4-pentyl-2H-chromen-2-one 
5,7-dihydroxy-8-(3-methylbut-2-enyl)-6-(3-methylbutanoyl)-4-propyl-2H-chromen-2-one 
5,8-tetradecadienal 
5-(2,2-diferuloylethen-1-yl)thalidomide 
5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide 
5-(2-hydroxyethyl)-4-methylthiazole 
5-(hydroxymethyl)cytosine +   
5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-) 
5-(N,N-hexamethylene)amiloride  
5-(tetradecyloxy)-2-furoic acid  
5-[(1-phenylcyclohexyl)amino]pentanoic acid 
5-[2-(feruloyl)ethen-1-yl]thalidomide 
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucopyranose 
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose +  
5-acetamidopentanoic acid 
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) +  
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium 
5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate 
5-amino-2-oxopentanoic acid 
5-aminolevulinic acid +   
5-aminolevulinic acid hydrochloride 
5-aminonicotinic acid 
5-aminopentanoic acid +  
5-aminosalicyluric acid 
5-azacytidine  
5-bromo-2'-deoxyuridine  
5-bromo-8-methoxy-1-methyl-beta-carboline 
5-carboxycytosine 
5-chloro-4-hydroxy-2-oxopentanoic acid 
5-chloro-7-iodoquinolin-8-ol  
5-chlorooctyl acetate 
5-deoxyglyasperin F 
5-diphospho-1D-myo-inositol pentakisphosphate 
5-dodecenoate 
5-dodecenoic acid +  
5-epi-ilimaquinone 
5-ethoxydihydro-2(3H)-furanone 
5-ethyl-3-hydroxy-4-methyl-2(5H)-furanone 
5-fluorouracil  
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 
5-formimidoyltetrahydrofolate(2-) 
5-formylcytosine 
5-formyluracil 
5-galloylquercetin-3-O-alpha-L-arabinofuranoside 
5-guanidino-2-oxopentanoic acid 
5-heptadecylresorcinol 
5-HETrE +  
5-hydroperoxy-15-HETE +  
5-hydroxy-2-(1'-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione 
5-hydroxy-2-methylchromone-7-O-rutinoside 
5-hydroxy-6,7-dimethoxy-2-methylchromone 
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside 
5-hydroxy-7,2',4',5'-tetramethoxyflavone 
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one 
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one 
5-hydroxy-L-tryptophan 
5-hydroxy-N-formylkynurenine +  
5-hydroxybenzimidazole 
5-hydroxyimidazole-4-carboxamide 
5-hydroxyindole  
5-hydroxyisouric acid +  
5-hydroxykynurenine +  
5-hydroxymethyluracil +  
5-Hydroxynoracronycine 
5-hydroxypipecolic acid +  
5-hydroxytryptophan +   
5-hydroxyxanthotoxin 
5-hydroxyzerumbone 
5-methoxy-8-(2'-hydroxy-3'-buthoxy-3'-methylbutyloxy)psoralen 
5-Methoxygalbelgin 
5-methoxytryptamine +   
5-methoxytryptophan 
5-methyl-2-furaldehyde 
5-methyl-imidazole-2-carboxylic acid 
5-methyl-imidazole-4-carboxylic acid 
5-methyl-pyrazole-3-carboxylic acid  
5-methylcytosine +   
5-methyldec-1-ene 
5-methyltetrahydrofolic acid +   
5-O-beta-D-mycaminosyltylactone 
5-O-cis-caffeoylquinic acid 
5-O-demethylpaxanthonin +  
5-O-ethyl embelin 
5-O-methyl embelin 
5-O-methylcelebixanthone 
5-O-phosphonato-alpha-D-ribofuranosyl diphosphate(5-) 
5-O-phosphono-alpha-D-ribofuranosyl diphosphate 
5-O-sinapoylquinic acid 
5-oxo-D-proline 
5-oxo-ETE  
5-oxoprolinate +  
5-oxoproline +   
5-p-coumaroylquinic acid 
5-PAHSA 
5-PAHSA(1-) 
5-phospho-beta-D-ribosylaminium(1-) 
5-sulfosalicylic acid 
51-hydroxy ciguatoxin CTX3C 
5alpha,8alpha-epidioxycholest-6-en-3beta-ol 
5alpha,8alpha-epidioxysterol 
5alpha-androstane +   
5alpha-androstane-3alpha,17beta-diol +   
5alpha-androstane-3beta,17beta-diol +   
5alpha-cholest-7-en-3beta-ol +   
5alpha-cholest-8-en-3beta-ol 
5alpha-cholesta-7,24-dien-3beta-ol 
5alpha-epoxyalantolactone 
5alpha-ergosta-7,22-dien-3beta-ol 
5alpha-pregnane-3,20-dione  
5beta-cholestan-3-one 
5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol +  
5beta-cholestane-3alpha,7alpha,12alpha-triol 
5beta-cholestane-3alpha,7alpha,26-triol 
5beta-cholestane-3alpha,7alpha-diol 
5beta-dihydrotestosterone 
5beta-pregnane-3,20-dione 
5E-7-oxozeaenol 
5Z-7-oxozeaenol  
6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside 
6'-de-O-acetylcupacinoside 
6'-O-Caffeoylcatalpol 
6'-O-cinnamoylmussaenosidic acid, (rel)- 
6'-O-galloylalbiflorin 
6,15-diketo,13,14-dihydroprostaglandin F1alpha 
6,6'-bieckol 
6,6'-Di-O-caffeoylcatalpol 
6,7-Di-O-nicotinoylscutebarbatine G, (rel) 
6,7-dihydrobiopterin +  
6,8-dimethylisogenistein 
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole 
6-(2-Pyrrolidinone-5-yl)-(-)-epicatechin 
6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone 
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol +  
6-(D-glucosyloxy)indole-3-carboxylic acid 
6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol(1-) +  
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran 
6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran 
6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one 
6-acetamido-2-oxohexanoic acid 
6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one 
6-amino-2-oxohexanoic acid +  
6-aminohexanoic acid +   
6-aminonicotinic acid +   
6-anilino-5,8-quinolinedione  
6-azauridine +   
6-azauridine 5'-monophosphate 
6-azauridine 5'-monophosphate(2-) 
6-Bromo-N-methyltryptamine 
6-C-alpha-L-arabinopyranosyl-8-C-beta-D-glucosylluteolin 
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione 
6-cis-Docosenamide 
6-deoxy-6-sulfo-D-fructofuranose 
6-deoxy-6-sulfo-D-fructofuranose 1-phosphate 
6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-D-glucopyranose 
6-desmethyl-N-methylfluvirucin A1 
6-diazo-5-oxo-L-norleucine 
6-epi-clusianone, (rel)- 
6-epi-guttiferone J 
6-epi-lipoxin A4 
6-guanidinohexanoic acid 
6-hydroxy platensimycin A1 methyl ester 
6-hydroxyluteolin 7-O-laminaribioside 
6-hydroxymanzamine A 
6-hydroxymelatonin  
6-hydroxymethyladenine 
6-hydroxypaclitaxel  
6-hydroxysphing-4E-enine 
6-Hydroxytetrahydro-beta-carboline 
6-lactoyl-5,6,7,8-tetrahydropterin +  
6-methoxy-4-methylbenzo[g]quinoline-2,5,10(1H)-trione 
6-methoxyspirotryprostatin B 
6-methyl-2-heptanyl acetate 
6-methyladenine 
6-methyluracil 
6-n-Pentyl-alpha-pyrone 
6-O-(trans-4-coumaroyl)-alpha-D-glucopyranose 
6-O-(trans-4-coumaroyl)-beta-D-glucopyranose 
6-O-feruloylcatalpol 
6-O-galloyl-beta-D-glucose 
6-O-methyl-2-deprenylrheediaxanthone B 
6-O-methylinosine 
6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel) 
6-O-phosphonato-D-glucono-1,5-lactone(2-) 
6-O-sinapoylhexose 
6-oxo-1,6-dihydrodibenzo[cd,g]indazole-3-sulfonic acid 
6-oxoprostaglandin E1 
6-oxoprostaglandin F1alpha  
6-pentyloxan-2-one 
6-sulfo-D-quinovose +  
6-tuliposide A 
6a,7-didehydro-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate 
6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one 
6alpha-acetoxyisoinuviscolide 
6alpha-malonyloxymanoyl oxide 
6beta-hydroxycortisol  
6beta-hydroxycortisone 
6beta-hydroxystigmast-4-en-3-one 
6beta-hydroxytestosterone +   
7'-O-demethylisocephaeline 
7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid 
7,3',4'-trihydroxy-3,8-dimethoxyflavone 
7,4'-di-O-galloyltricetiflavan 
7,4'-dihydroxy-3'-methoxyisoflavone 
7,4'-dihydroxy-8,3'-dimethoxyflavanone 
7,8-dehydrocerberin 
7,8-didehydro-17beta-estradiol 
7,8-dihydroneopterin +  
7,8-dihydroneopterin 3'-triphosphate(4-) 
7,8-dihydroxyflavanone 
7,8-dihydroxyflavone +  
7,8-Epoxyfurospongin-1, (rel)- 
7,9-dihydro-1H-purine-2,6,8(3H)-trione +   
7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid 
7-(2-amino-2-carboxyethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazin-3-one 
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one 
7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone 
7-(alpha-D-glucosyl)-N(6)-isopentenyladenine 
7-acetyl-16,17-dehydro-16-hydroxyneotrichilenone 
7-Acetylbaccatin III 
7-amino-4-hydroxy-2-naphthalenesulfonic acid  
7-deacetyl-17-epinimolicinol 
7-deacetyl-7-benzoylepoxyazadiradione 
7-deacetyl-7-benzoylgedunin 
7-deacetylgedunin 
7-dehydrodesmosterol 
7-demethoxyegonol 
7-epi-5-O-benzoyl-5-deacetylperitassine A 
7-epi-dioncophylline A 
7-epi-euojaponine A 
7-epi-Euonymine 
7-epi-Katsumain C 
7-epi-mayteine 
7-epi-sesquithujene 
7-epi-zeaenol 
7-epiclusianone 
7-epimekongensine, (rel)- 
7-hydroxy-5-hydroxymethyl-2H-benzo[1,4]thiazin-3-one 
7-Hydroxyheptaphylline 
7-hydroxyisoflavone +   
7-Methoxychamanetin 
7-methoxycrinamabine Trifluoroacetic acid 
7-methoxydeoxymorellin 
7-Methoxydichamanetin 
7-Methoxyheptaphylline 
7-Methoxyisochamanetin 
7-Methoxymurrayacine 
7-methoxypraecansone B 
7-methyladenine 
7-methylguanine +   
7-methylguanosine +  
7-methylinosine 
7-nor-ergosterolide 
7-O-(6-feruoylglucosyl)isoorientin 
7-O-(6-p-coumaroylglucosyl)chrysoeriol 
7-O-(6-sinapoylglucosyl)isoorientin 
7-O-(6-sinapoylglucosyl)isoscoparin 
7-O-(6-sinapoylglucosyl)isovitexin 
7-O-(beta-D-glucosyl)isovitexin 
7-O-[6-(6-methoxycaffeoyl)glucosyl]isovitexin 
7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]chrysoeriol 
7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isoorientin 
7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isoscoparin 
7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]isovitexin 
7-O-[beta-D-arabinopyranosyl-(1->6)-beta-D-glucosyl]apigenin 
7-O-[beta-D-arabinopyranosyl-(1->6)-beta-D-glucosyl]luteolin 
7-O-Acetyltaxine A 
7-O-beta-D-glucosylisoscoparin 
7-O-galloyltricetiflavan 
7-O-methylluteone 
7-O-Nicotinoyl scutebarbatine H, (rel) 
7-octen-2-ol 
7-octen-2-one 
7-oxo-10alpha-cucurbitadienol 
7-oxo-3,8,9-trihydroxy staurosporine 
7-oxo-5alpha-cholestan-3beta-ol 
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine 
7-oxohernangerine 
7-oxolithocholic acid +   
7-PAHSA 
7-PAHSA(1-) 
7-phloroeckol 
7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid +  
7alpha,12alpha-dihydroxy-5beta-cholestan-3-one 
7alpha,12alpha-dihydroxycholest-4-en-3-one 
7alpha,25-dihydroxy-4-cholesten-3-one 
7alpha,25-dihydroxycholesterol 
7alpha,26-dihydroxycholesterol +  
7alpha-hydroperoxy manool 
7alpha-hydroxy-3-oxo-4-cholestenoic acid 
7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid 
7alpha-hydroxy-5beta-cholestan-3-one 
7alpha-hydroxycholest-4-en-3-one  
7alpha-hydroxylambertianic acid 
7alpha-Hydroxyparavallarine 
7alpha-Obacunyl acetate 
7beta-hydroxyepiandrosterone 
7beta-hydroxysitosterol 
7beta-hydroxytaxusin 
7S,8S-epoxy-17R-hydroxydocosahexaenoic acid 
8'-epi-cleomiscosin A 
8,8a-epoxymorellic acid 
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine 
8-(2-Pyrrolidinone-5-yl)-(-)-epicatechin 
8-acetoxy-4,10-dihydroxy-2,11(13)-guaiadiene-12,6-olide 
8-aminooctanoic acid 
8-azaguanine +   
8-desmethylnovobiocic acid 
8-epi-prostaglandin E2  
8-epihelenalin 
8-HDoHE 
8-HETrE +  
8-hydroxy-2-(1'-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione 
8-Hydroxy-7-methoxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one 
8-hydroxy-7-methylguanine 
8-hydroxyadenine 
8-Hydroxyeupolauridine 
8-hydroxymanzamine A 
8-lavandulylkaempferol 
8-methoxy-9-O-angeloylthymol 
8-methoxy-9-O-isobutyrylthymol 
8-nitroguanosine 3',5'-cyclic monophosphate 
8-O-cinnamoylmussaenosidic acid 
8-O-demethyloxomaritidine Trifluoroacetic acid 
8-O-methyldihydrosterigmatocystin 
8-oxoadenine 
8-PAHSA 
8-PAHSA(1-) 
8-PIP-cAMP 
8alpha-hydroxylabda-13(16),14-dien-19-yl-cis-4-hydroxycinnamate 
8beta-hydroxy-isopimar-15-en-19-oic acid 
9'-Deacetoxymekongensine 
9(11)-dehydroaxinysterol 
9(S)-HPODE 
9,10-epoxyoctadecanoic acid +  
9-(3-methylbutanoyl)-8,10-dehydrothymol 
9-acetoxy-8,10-dehydrothymol 3-O-tiglate 
9-acetoxy-8,10-epoxythymol 3-O-tiglate 
9-acetoxythymol 3-O-tiglate 
9-aminononanoic acid 
9-beta-D-arabinofuranosylguanine +  
9-cis-retinoate 
9-cis-retinoic acid +   
9-deacetoxyfumigaclavine C 
9-Demethoxy-18-demethylgardneramine 
9-HETE 
9-HODE +   
9-HOTrE +  
9-hydroxy hedychenone 
9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid 
9-hydroxy-8,10-dehydrothymol 
9-hydroxycanthin-6-one  
9-hydroxyellipticine  
9-isobutyryloxy-8,10-dehydrothymol 
9-methoxycanthin-6-one 
9-Methoxyeupolauridine 1-oxide 
9-methyladenine 
9-O-angeloyl-8,10-dehydrothymol 
9-oxo-10E,12E-ODE 
9-oxo-ODE 
9-PAHSA 
9-PAHSA(1-) 
9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one 
9H-purine-2,6-diamine +  
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 
[(1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-methylbutanoate 
[des-Phe(8), des-Arg(9)]-bradykinin 
[Pyr1]apelin-12(2+) 
[Pyr1]apelin-13(2+) 
A2-32-01 
A2-58-06 
abacavir 5'-carboxylic acid 
abacavir 5'-glucuronide 
abacavir monophosphate 
abacopterin D 
abarelix 
abexinostat  
abiraterone +   
abiraterone acetate 
ABT-737  
abyssinone A 
abyssinone C 
abyssinone D 
abyssinone V 
Abyssomicin I 
Ac-Asp-Glu  
acacetin-7-O-beta-D-galactopyranoside 
acacic acid +  
acadesine +   
acalabrutinib  
acantrifoside E 
acerosin 
acetaldehyde +   
acetate +   
acetic anhydride  
acetoacetate 
acetoacetic acid +   
acetoacetyl-CoA(4-) 
acetoin +   
acetone +   
acetyl aleuritolic acid 
acetyl dihydrogen phosphate 
acetyl-CoA(4-) 
acetylcholine +   
acivicin  
aclacinomycin A  
aclacinomycin A zwitterion 
aclacinomycin N 
aclacinomycin S 
aclacinomycin S zwitterion 
aclacinomycin T 
aclacinomycin T hydrochloride 
aclacinomycin T zwitterion 
aclacinomycin Y 
AcNADH 
Acremostrictin, rel- 
acriflavinium chloride 
acronycine 
acrylate +   
acrylic acid +   
acryloyl-CoA(4-) 
Actein  
actinidic acid +  
actinodaphnine 
actinopolysporin A 
actinopolysporin B 
actinopolysporin C 
aculeatol E 
acumitin 
acutoside A 
acyl-carrier protein +  
acylglycerone phosphate +  
adavosertib  
adenine +   
adenine arabinoside +   
Adenolin A 
Adenolin B 
Adenolin C 
Adenolin D 
Adenolin E 
adenosine +   
adenosine 3',5'-bismonophosphate(4-) 
adenosine 5'-monophosphate(2-) +  
adonixanthin 
ADP +   
ADP alpha-D-glucoside(2-) 
ADP(3-) +  
ADP-alpha-D-mannose 
ADP-D-ribose 2'-phosphate(4-) 
ADP-D-ribose(2-) +  
adrenaline +   
adxanthromycin A 
adxanthromycin B 
AEE788 
aerothionin 
aerugine 
afatinib +   
afatinib dimaleate 
afimoxifene  
aflatoxin B1 +   
aflatoxin B1 exo-8,9-epoxide  
Agatharesinol acetonide 
agathisflavone  
ageladine A  
agigenin +  
aglafolin 
aglaiabbreviatin F 
agmatinium(2+) 
Agminoside A 
Agminoside B 
Agminoside C 
Agminoside D 
Agminoside E 
agrochelin 
agrocybin 
AICA ribonucleotide  
aignopsane ketal 
aignopsanoic acid A 
aignopsanoic acid B 
ainsliadimer A 
akebia saponin D 
Akebonic acid 
AKI00000020a 
aklavinone +   
Ala-Ala-Ala 
Ala-Ala-Asp 
Ala-Ala-Asp-Asp 
Ala-Ala-Gly 
Ala-Ala-Pro 
Ala-Ala-Pro-Pro 
Ala-Ala-Ser 
Ala-Asn 
Ala-Asn-Asn-Pro 
Ala-Asn-Asp-Pro 
Ala-Asn-Gln-Ser 
Ala-Asp 
Ala-Asp-Gly 
Ala-Asp-Pro 
Ala-Asp-Ser 
Ala-Cys-Gly 
Ala-Gln  
Ala-Gln-Pro 
Ala-Gly 
Ala-Gly-His 
Ala-Gly-Pro 
Ala-Gly-Ser 
Ala-Gly-Tyr 
Ala-His 
Ala-Ile 
Ala-Leu 
Ala-Leu-Ala-Pro 
Ala-Leu-Asp-Asp 
Ala-Leu-Asp-Gly 
Ala-Leu-Leu-Asp 
Ala-Leu-Leu-His 
Ala-Leu-Leu-Ser 
Ala-Leu-Leu-Thr 
Ala-Leu-Thr-Gln 
Ala-Leu-Thr-Pro 
Ala-Leu-Val-Ser 
Ala-Met 
Ala-Met-Ser-Arg 
Ala-Phe 
Ala-Phe-Thr-Ser 
Ala-Phe-Trp-Asn 
Ala-Pro 
Ala-Ser 
Ala-Thr 
Ala-Thr-Ala-Pro 
Ala-Trp 
Ala-Trp-Asn-Asp 
Ala-Tyr 
Ala-Val 
Ala-Val-Asp-His 
Ala-Val-Asp-Pro 
Ala-Val-Asp-Ser 
Ala-Val-Asp-Tyr 
Ala-Val-Pro-Pro 
alaninate +  
alaninium +  
alantolactone +   
alatolide 
albibrissinoside A 
albizoside A 
albizoside B 
albizoside C 
albonoursin 
aldehydo-D-galactose 6-phosphate 
aldehydo-D-xylose +  
aldehydo-L-iduronate 
aldehydo-N-acetyl-D-glucosamine 
aldehydo-N-acetyl-D-mannosamine 
aldosterone +   
alectinib  
alectinib hydrochloride 
alfuzosin +   
alisertib 
alisiaquinol 
alisiaquinone A +  
alisiaquinone B 
alisiaquninone C 
alismorientol A 
alkaloid +   
all-cis-5,8,11,14,17-icosapentaenoate +  
all-cis-5,8,11,14,17-icosapentaenoic acid +  
all-cis-docosa-4,7,10,13,16,19-hexaenoic acid +   
all-cis-docosa-7,10,13,16-tetraenoic acid +   
all-cis-icosa-8,11,14-trienoic acid +  
all-cis-icosa-8,11,14-trienoyl-CoA 
all-trans-4-hydroxyretinoic acid +   
all-trans-4-oxoretinol  
all-trans-dodecaprenyl diphosphate 
all-trans-dodecaprenyl diphosphate(3-) 
all-trans-retinal +   
all-trans-retinoate +  
all-trans-retinoic acid +   
all-trans-retinol +   
allantoate 
allantoin +   
allanxanthone C 
allelochemical +   
allocholic acid +  
allopurinol riboside 
alloxan  
allyl isothiocyanate  
allyl octadecyl oxalate 
allyltetramethoxybenzene 
allylthiourea 
Aloe C-glucosylchromone 
Aloe emodin  
aloesone 
aloin A +  
aloin B +  
alpha,alpha-trehalose +   
alpha-(4-hydroxyphenyl)-N-tert-butylnitrone 
alpha-(4-methoxyphenyl)-6-methyl-2-pyridineacrylic acid 
alpha-aminobutyrate 
alpha-aminobutyric acid +  
alpha-Conidendrin 
alpha-cubebene 
alpha-D-galactose 1-phosphate(2-) 
alpha-D-glucosamine 6-phosphate 
alpha-D-glucose 1,6-bisphosphate 
alpha-D-glucose 1,6-bisphosphate(4-) 
alpha-D-glucose 1-phosphate(2-) 
alpha-D-glucose-1,2-((13)C2) 
alpha-D-glucosyl-(1->3)-beta-D-mannose 
alpha-D-mannose 1-phosphate(2-) 
alpha-D-mannosyl-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol 
alpha-D-rhamnofuranose +  
alpha-D-ribofuranose 5-phosphate 
alpha-D-ribose 1-phosphate(2-) 
alpha-glutinol 
alpha-isomethylionyl acetate 
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer +  
alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose +   
alpha-linolenate +  
alpha-linolenoyl-CoA 
alpha-maltotriose +  
alpha-Man-(1->2)-alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->6)]-alpha-Man-(1->6)]-beta-Man-(1->4)-beta-GlcNAc-(1->4)-alpha-GlcNAc(PP-Dol) 
alpha-mangostin  
alpha-mannofuranuronic acid gamma-lactone 
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine +   
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-) +  
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group 
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +  
alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc-(1<->1')-Cer 
alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer 
alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer 
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer +  
alpha-Neup5NAc-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer 
alpha-peltatin +  
alpha-phenylglycine +   
alpha-pinene oxide 
alpha-tocopheryloxyacetic acid 
alpha-tocotrienol  
Alpinnanin B 
alpinumisoflavone  
alsterpaullone  
Alstolobine A, (rel)- 
alstoumerine 
Altechromone A 
alternariol +   
Alterporriol G and H (Atropisomers) 
alvaradoin E 
alvaradoin F 
alvaradoin G 
alvaradoin H 
alvaradoin I 
alvaradoin J 
alvaradoin K 
alvaradoin L 
alvaradoin M 
alvaradoin N 
alvocidib  
alvocidib hydrochloride 
AM-251  
amarogentin  
amburoside A 
AMG-208 
AMG-925 
aminoglutethimide +   
aminomalonic acid  
ammonia +   
ammonioacetone 
ammonium +   
amomol A 
amphotericin B methyl ester  
amrubicin +  
amrubicinol 
amsacrine  
anadensin 
anagalligenin A +  
ananolignan B 
ananolignan C 
ananolignan D 
ananolignan E 
ananolignan H 
ananolignan K 
ananolignan N 
Ananosin A 
anastrozole +   
ancistrotanzanine A 
ancistrotanzanine B 
ancitabine  
ancitabine hydrochloride 
andrographolide  
androst-4-ene-3,17-dione +   
androst-5-ene-3beta,17beta-diol +   
androstane-3,17-dione +   
androsterone +   
androsterone 3-glucosiduronic acid  
androsterone sulfate 
angiotensin (1-9) 
angiotensin (1-9) dizwitterion 
angiotensin I  
angiotensin I dizwitterion 
angiotensin-(1-5) dizwitterion 
angustilobine B, (rac)- 
Anhydrofurospongin-1 
annomontine  
Annosquacin-I, (rel)- 
Annosquatin-I, (rel)- 
Annosquatin-II, (rel)- 
annuionone D 
anolignan A 
anolignan B 
ansaetherone 
ansamitocin P3 
antcin A 
antcin C 
antcin K 
anthra[1,9-cd]pyrazol-6(2H)-one  
anthracycline +   
anthramycin 
anthranilate +  
anthranilic acid +   
antimycin A9 
antrocapmphin A 
antroquinonol  
AOH1996 
apelin-12 
apelin-13 
apelin-16(6+) 
apelin-17(6+) 
Apetaline A 
Apetaline B 
Apetaline C 
aphidicolan-16beta-ol 
aphidicolin  
aphidicolin-17-monoacetate 
apiforol 
apigenin +   
apigenin 7-O-beta-D-glucoside  
apigenin 7-O-beta-D-glucoside(1-) 
apigenin 7-O-neohesperidoside 
Apiole 
aplidiasphingosine 
aplysiallene 
aplysinoplide A 
aplysinoplide B 
aplysinoplide C 
apo latrunculin T 
apo-[acyl-carrier protein] 
apratoxin A  
apratoxin D 
apratoxin E 
aquacob(III)alamin 
AR-42 
arabidopside +  
arabinitol +  
arachidonate +   
arachidonic acid +   
arachidonoyl-CoA(4-) 
aragoside 
arauridine 
arborescin 
arbusculin A +  
archazolid E 
archazolid F 
ardimerin digallate 
ardisianoside A 
ardisianoside B 
ardisianoside C 
ardisianoside D 
ardisianoside E 
ardisiphenol A 
ardisiphenol B 
ardisiphenol C 
arecatannin B1 
arecoline  
arenamide A 
arenamide B 
Arg-Ala +  
Arg-Asn-Gln-Arg 
Arg-Asn-Gly-Ser 
Arg-Asp 
Arg-Gln 
Arg-Ile 
Arg-Leu 
Arg-Lys 
Arg-Lys-Cys-Gly 
Arg-Met 
Arg-Phe 
Arg-Phe-Phe-Cys 
Arg-Ser 
Arg-Thr-Cys-Cys 
Arg-Trp 
Arg-Trp-Ser-Tyr 
Arg-Tyr 
Arg-Val 
arglabin +  
Argutin A 
Argutin B 
Argutin C 
Argutin D 
Argutin E 
Argutin F 
Argutin G 
Argutin H 
aristolochic acid A +   
aristolochic acid B 
aristolochic acid C 
aristolochic acid D 
arisugacin A 
arjunolic acid +   
aromaticin 
arotinoid acid  
ARS-1620  
artemorin 
artesunate  
arthrobotrisin A 
arthrobotrisin B 
arthrobotrisin C 
artocarpin 
artochamin C 
artoindonesianin E1 
artoindonesianin P 
arugosin +  
AS-I-145 
AS1842856 
ascidiathiazone A 
ascidiathiazone B 
ascochlorin 
ascofuranone 
ascorbigen 
asiatic acid +   
Asn-Asn-Pro-Ser 
Asn-Asp 
Asn-Gln 
Asn-Glu 
Asn-Gly 
Asn-His 
Asn-Leu-Asp-Asp 
Asn-Leu-Leu-Ser 
Asn-Leu-Phe-Asp 
Asn-Met-Trp-Asn 
Asn-Pro 
Asn-Ser 
Asn-Trp-Asp-Ser 
Asn-Trp-Cys-His 
Asn-Tyr 
Asn-Val 
ASP-3026 
Asp-Ala 
Asp-Arg 
Asp-Gln 
Asp-Gln-Arg 
Asp-Gln-Ser 
Asp-Glu 
Asp-Gly 
Asp-His 
Asp-Leu-Asp-Gln 
Asp-Leu-Leu-Gln 
Asp-Leu-Leu-Ser 
Asp-Leu-Phe-Val 
Asp-Leu-Thr-Asp 
Asp-Leu-Thr-Ser 
Asp-Leu-Val-Ser 
Asp-Lys 
Asp-Met-Thr-Pro 
Asp-Phe-Asp-Gln 
Asp-Phe-Val-Val 
Asp-Pro-Ser-Ser 
Asp-Ser 
Asp-Trp 
Asp-Trp-Trp-Val 
Asp-Tyr 
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 
Asp-Val 
Asp-Val-Gly-Pro 
Asp-Val-Pro-Pro 
Asp-Val-Val-Val 
aspartyl adenylate beta-ketophosphonate isostere 
asperfuranone 
aspergillide A 
aspergillide B 
aspergillide C 
aspernidine A 
asperphenamate  
asperthecin +  
asperuloside  
asphodelin A +  
asphodelin A-4'-O-beta-glucoside 
aspidinol C 
Aspidinol D 
asprellic acid A 
asprellic acid C 
astechrome +  
astragalin heptaacetate 
astromicin +  
asukamycin 
AT7867 
Athrolide A 
Athrolide B 
Athrolide C, (rel)- 
Athrolide D, (rel)- 
Athrolide E 
ATP(3-) 
ATP(4-) +  
Atractylenolide III 
atractyligenin +  
atromentin 
attenoside 
aucubin +   
auraptene  
aureoquinone 
aureothin 
Auroglaucin 
austocystin D 
australifungin 
austroinulin 
avenacoside A +  
avenacoside B +  
avenanthramide B 
axitinib  
AZ505 
azadiradionolide 
azadirone +  
azaserine 
azathioprine  
AZD-1152 +  
AZD-8055 
AZD1080 
AZD2858 
AZD3463 
AZD5153 
AZD7762 
AZT-1152 
b-AP15 
baccatin III +   
bacilysin 
bacilysocin 
baicalein +   
baicalein(1-) 
baicalin  
ballodiolic acid 
ballotenic acid 
balsaminolate 
baruol 
bassianolide 
bassiatin 
bastadin 4 
bastadin 5 
bastadin 6 
Bathymodiolamide A 
Bathymodiolamide B 
batimastat  
batzelladine A 
batzelladine B 
bauhinoxepin A 
bauhinoxepin B 
bauhinoxepin F 
bauhinoxepin I 
bauhinoxepin J 
BAY-826 
BAY11-7085 
BCI-215 
BDA-366 
BE-23372M 
BE-24566B 
BE-54238A 
BE-54238B 
beauvericin  
behenate +  
beilschminol A, rel- 
belinostat  
bellidifolin +   
bellidin +   
benarthin 
benjaminamide 
benthophoenin 
benzastatin C 
benzene-1,3-disulfonic acid 
benzocyclobutene 
benzothiazine +   
benzoylacetyl-CoA 
Benzoylpaeoniflorin  
benzyl acetate  
benzyl alcohol +   
berberine  
Bergenin  
bergomottin  
berkeleydione 
beta-(3,4-dihydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside 
beta-(3,4-dihydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside 
beta-(3,4-dihydroxyphenyl)ethyl-6-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside 
beta-(4-hydroxyphenyl)ethyl-3-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside 
beta-alanine +   
beta-aminopropionitrile +   
beta-aminopropionitrile hemifumarate 
beta-carotene +   
beta-casochemotide-1 
beta-casomorphin-6 (human) 
beta-casomorphin-7 (human) 
beta-casomorphin-7 (human)(1-) 
beta-citrylglutamic acid 
beta-D-fructofuranose 2,6-bisphosphate  
beta-D-fructofuranose 2,6-bisphosphate(4-) 
beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose 
beta-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl group 
beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine +  
beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-(hexacosanoyl)sphingosine 
beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl group 
beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) +  
beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer +  
beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->6)-\{alpha-L-Fucp-(1->4)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)]-beta-D-GlcppNAc-(1->3)\}-beta-D-Gal-(1->4)-D-Glcp 
beta-D-glucuronic acid +   
beta-D-mannosyldiacetylchitobiosyldiphosphodolichol 
beta-D-rhamnofuranose +  
beta-elemene +  
beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer 
beta-ionone 5,6-epoxide 
beta-lapachone  
beta-leucine +  
beta-peltatin 
beta-sitostenone 
beta-thujaplicin  
beta-tocotrienol  
betaine aldehyde 
betulin +   
betulin di(3-carboxybutanoate) 
betulinic acid +   
betulone 
bevirimat 
bexarotene  
BF 4 
BF 5 
BF 6 
BGJ-398 
BGT226 
BGT226 free base 
BI-2536  
bianfugenine 
bicalutamide  
bicyclogermacrene 
bidebiline C 
bidebiline D 
bidenlignaside A 
bidenlignaside B 
bielschowskysin 
Biexcisusin A, (rel)- 
Biexcisusin B, (rel)- 
Biexcisusin C, (rel)- 
Biexcisusin D, (rel)- 
Biexcisusin E, (rel)- 
bigelovin 
BIIB021 
bile acid metabolite +  
bilirubin IXalpha  
bilirubin(2-) 
biliverdin +   
biliverdin hydrochloride 
biliverdin(2-) 
binimetinib  
biochanin A +   
biopterin +   
biotin +   
biotin amide 
biotin sulfone 
biotin sulfoxide +  
biotinate +  
biotinyl-5'-AMP 
bipinnatone A 
bipinnatone B 
bis(2-methyl-3-furyl)disulfide 
bis(2-methyl-4,5-dihydro-3-furyl) disulfide 
bis(2-methylundecan-2-yl) disulfide 
bis(beta-glucosyluronate)bilirubin 
bis(S-citronellalthiosemicarbazonato)nickel(II) 
bis-(4-hydroxybenzyl)ether 
bis-(4-hydroxybenzyl)sulfide 
bis-beta-D-fructofuranose 1,2':2,3'-dianhydride 
bisantrene 
bisdemethoxycurcumin  
bisphenol A dimethacrylate  
bisphenol AF 
bistratamide E 
bistratamide F 
bistratamide G 
bistratamide H 
bistratamide I 
bistratamide J 
Biyouyanagin A 
BKM120  
blancoxanthone 
bleomycin A2  
bleomycin A5  
bleomycin B2 
bleomycin hydrochloride 
Blumeaene E1 
Blumeaene E2 
Blumeaene K, (rel)- 
Blumeaene L 
Blumeaene M 
BML-210 
BMS-214662 
BMS-754807  
BMY-25067  
Boehmenan 
bonianic acid A, (rel)- 
bonianic acid B, (rel)- 
borneol +   
borrelidin  
bortezomib  
bosutinib +   
bosutinib hydrate 
botryosphaerin H 
bowdichione 
BPDZ 711 
brachialactone 
brachystemidine A 
brachystemidine B 
brachystemidine C 
brachystemidine D 
brachystemin C 
Brachystemin F 
Brachystemin G 
Brachystemin H 
Brachystemin I 
bracteatin +  
brartemicin 
brasilicardin A 
brasilinolide A 
brasilinolide B 
brasiliquinone A 
brasiliquinone B 
brasiliquinone C 
brasixanthone B 
brasixanthone C 
brasixanthone D 
brassicasterol +  
brazilein  
brazilin  
brequinar  
brequinar sodium 
brevianamide F +  
brevipolide A 
brevipolide B 
brexanolone 
breynceanothanolic acid 
Brialalepolide A 
Brialalepolide B 
Brialalepolide C 
brivanib +  
brivanib alaninate 
bromophene 
bromophycolide A 
bromotopsentin 
bruceanol D 
bruceanol E 
bruceanol F 
bruceine D  
bruceolide +  
bruceolline F 
bruceolline I 
bruceolline J 
bruceolline K 
bruceolline N 
bryostatin 1  
bryostatin 2  
Buchapine 
bufalin  
buformin 
bulbisine Trifluoroacetic acid 
bullatacin 
burrodin 
burseran 
Bussealin A 
Bussealin B 
Bussealin C 
Bussealin D 
Bussealin E 
busulfan  
butan-1-ol +   
butane-1,2-diol +  
butein  
butin +  
butirosin +  
butyl 2-(methylsulfanyl)acetate 
butyl 3-(methylsulfanyl)propanoate 
butyl acetate +  
butyl butanoate 
butyl dec-9-enoate 
butyl hexanoate 
butyl octanoate 
butyl propionate 
butyrate +   
butyryl-CoA(4-) 
Buxalongifolamidine 
Buxamine A 
buxaminol A 
C-1027 chromophore 
C30 botryococcene +  
C75 
cabazitaxel  
cabergoline  
cabozantinib +   
cabozantinib malate 
cadiyenol 
caerulomycin A 
caerulomycin C 
caerulomycin F 
caerulomycin G 
caerulomycin H 
caerulomycin I 
caerulomycin J 
caerulomycin K 
caerulomycinamide 
caerulomycinonitrile 
caesalpinin C 
caesalpinin D 
caesalpinin F 
CAF-603 
cafestol  
Caffeic acid ethyl ester 
Cajanin 
calabricoside A 
calabricoside B 
Calanolide E2 (diastereoisomer of calanolide E1) 
Calanolide F 
Calceolarioside B 
calcidiol +   
calciol +   
calcitetrol 
calcitonin  
calcitriol +   
calcium(2+) +   
caldariellaquinol 
caldariellaquinone 
calicheamicin gamma1(I) 
callipeltin A 
callophycoic acid A 
callophycoic acid B 
callophycoic acid C 
callophycoic acid D 
callophycoic acid E 
callophycoic acid F 
callophycoic acid G 
callophycoic acid H 
callophycol A 
callophycol B 
callysponginol sulfate A 
calotropone 
calycosin +   
calycosin(1-) 
calysolin I 
calysolin II 
calysolin III 
calysolin IV 
Calyxin H 
camalexin +   
camellianoside 
caminoside A 
camonsertib 
camostat  
camostat mesylate 
Camphoratin A, (rel)- 
Camphoratin B 
Camphoratin C 
Camphoratin D 
Camphoratin E 
Camphoratin F 
Camphoratin G 
Camphoratin H 
Camphoratin I 
Camphoratin J 
camptothecin  
CAN-508 
canadaline 
candelalide A 
candelalide B 
candelalide C 
candidachalcone 
Candimine 
canertinib  
canthin-6-one +   
capecitabine  
capilliposide B 
Capillolide 
capivasertib  
capmatinib 
capnoidine 
caproylcholine 
capsaicinoid +   
captopril disulfide 
carbamoyl phosphate(2-) 
carbendazim  
carbon dioxide  
carbon monoxide  
carbonarone A 
carboplatin  
carboxyacetyl-[acyl-carrier protein] 
cardiolipin +  
cardivin A 
cardivin B 
cardivin C 
cardivin D 
carfilzomib  
caribenol A 
caribenol B 
Carijodienone 
carlinoside 
Carmabin A 
carminomycin +  
carmustine  
carnitine +   
carnitinium +  
carnosic acid  
carnosine +   
carpesiolin 
caryophyllene oxide  
caseamemebrol A 
caseamemebrol B 
caseanigrescen A 
caseanigrescen B 
caseanigrescen C 
caseanigrescen D 
caseargrewiin A 
caseargrewiin B 
caseargrewiin C 
caseargrewiin D 
Casearupestrin A, (rel)- 
Casearupestrin B, (rel)- 
Casearupestrin C, (rel)- 
Casearupestrin D, (rel)- 
cassiarin A 
cassiaside C2 
castanospermine 
catalpol  
caudatin-3-O-beta-cymaropyranoside 
cauferoside 
caulophine 
CBL0137 
CCT-018159 
CCT251545 
CD532 
CDP(3-) +  
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol 
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2-) 
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol 
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-) 
CDP-1-stearoyl-2-linoleoyl-sn-glycerol 
CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2-) 
CDP-1-stearoyl-2-oleoyl-sn-glycerol 
CDP-1-stearoyl-2-oleoyl-sn-glycerol(2-) 
CDP-choline  
CDP-diacylglycerol(2-) +  
CDP-ethanolamine(1-) 
Celafolin A-1 
celasdin B 
celastrol  
celebixanthone +  
cellobionic acid 
cellocidin 
cembra-2,7,11-triene-4,6-diol 
centaureidin 
Cephalomannine 
Cephalostatin 1 
Cepharatine A, (rel)- 
Cepharatine B 
Cepharatine C 
Cepharatine D 
ceramide phosphoethanolamine (33:1) +  
ceramide phosphoethanolamine (34:1) +  
ceramide phosphoethanolamine (35:1) +  
ceramide phosphoethanolamine (35:2) +  
ceramide phosphoethanolamine (36:2) +  
ceramide phosphoethanolamine (37:2) +  
ceramide phosphoethanolamine (38:2) +  
ceratamine A 
ceratamine B 
cerberin 
ceritinib  
cerotate +  
cetrorelix +   
cetrorelix acetate 
CG-1521 
CGP-42112A  
CGS 15943  
CH5126766 
chaetochalasin A 
chaetocin  
chaetocin B 
chaetocin C 
chaetoglobosin B 
chaetoglobosin D 
chaetoglobosin E 
chaetoglobosin F 
chaetoglobosin G 
chaetoglobosin J 
chaetoglobosin L 
chaetoglobosin Q 
chaetoglobosin T 
chaetoglocin C 
chaetomanone 
chaetominine 
chaetoxanthone A 
chaetoxanthone B 
chaetoxanthone C 
chaxalactin A, (rel)- 
chaxalactin B, rel- 
chaxalactin C, rel- 
Chaxamycin A, rel- 
Chaxamycin B, rel- 
Chaxamycin C, rel- 
Chaxamycin D, rel- 
chelerythrine  
Chemomicin A 
chenodeoxycholate +  
chenodeoxycholic acid +   
chenodeoxycholoyl-CoA 
chetoseminudin A 
chetoseminudin B 
chetoseminudin C 
chetracin A 
Chikusetsusaponin-Ib 
Chikusetsusaponin-IV  
Chikusetsusaponin-IV methyl ester 
Chikusetsusaponin-IVa 
Chikusetsusaponin-IVa butyl ester 
Chikusetsusaponin-IVa methyl ester 
Chikusetsusaponin-V  
chimarrhinin, (rel)- 
CHIR-265 
CHIR-98014  
Chisomicine A 
Chisomicine B 
Chisomicine C 
chitin  
Chloraeudolide, (rel)- 
chlorahololide B 
Chlorajapolide A, (rel)- 
Chlorajapolide B, (rel)- 
Chlorajapolide C, (rel)- 
Chlorajapolide D, (rel)- 
Chlorajapolide E, (rel)- 
chlorajaponilide A 
chlorajaponilide B, (rel)- 
chlorajaponilide C 
chlorajaponilide D 
chlorajaponilide E, (rel)- 
Chlorajaponol, (rel)- 
Chlorajaposide, (rel)- 
chlorambucil  
chloramultilide C 
chloride +   
chlorohydroquinone 
chloropeptin I 
chloropeptin II 
chlorotrianisene  
chlorpromazine N-oxide 
cholate +   
cholest-4-en-3-one +   
cholest-5-en-3-one 
cholesta-1,4,22-trien-3-one 
cholesta-5,7-dien-3beta,24S-diol 
cholesta-5,7-dien-3beta,25-diol 
cholesta-5,7-dien-3beta-ol +   
cholestanol 7alpha,8alpha-epoxide 
cholesterol +   
cholesterol sulfate  
cholesteryl acetate 
cholesteryl linoleate  
cholesteryl palmitate  
cholic acid +   
choline +   
choline alfoscerate 
choline phosphate(1-) 
choloyl-CoA(4-) 
chondramide A +  
chondramide B 
chondramide C +  
chondramide D 
chrysin +   
chrysoeriol 7-O-gentiobioside 
chrysogedone A 
chrysogedone B 
chrysosplenol C 
CHZ868 
cidofovir anhydrous +   
cidofovir dihydrate 
CIGB-300 
ciglitazone  
ciguatoxin CTX1B  
ciguatoxin CTX3C 
ciguatoxin CTX4B 
ciliatamide A 
ciliatamide B 
Cimigenol 3-O-beta-D-xylopyranoside 
Cimiracemoside D 
Cimiracemoside F 
Cimiracemoside K 
cinchonidine  
cinchonine  
cinnamyl acetate 
circumdatin H 
cirsilineol  
cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate 
cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-) 
cis-10-pentadecenoic acid +  
cis-3-hydroxy-D-proline 
cis-4-hydroxy-D-proline 
cis-4-hydroxy-L-proline +  
cis-9-nonadecenoic acid 
cis-abienol 
cis-aconitate(3-) 
cis-astringin 
cis-dodec-3-enoyl-CoA(4-) 
cis-piceid 
cis-resveratrol 3-O-glucuronide 
cisplatin  
citraconic acid  
citrafungin A 
citrafungin B 
citral +   
citramalate(2-) +  
citramalic acid +  
citrifolinoside 
citrinalin A 
citronellal +   
citroside B 
citrusoside A 
citrusoside B 
citrusoside C 
citrusoside D 
CJ-01 
cladoniamide G 
cladribine  
clathsterol 
clathsterol disulfonic acid 
Clauraila A 
Clauraila B 
Clauraila C 
Clauraila D 
Clausine E 
Clausine K 
Clausine O 
clavulone II  
Cleistanone(rac) 
cleomiscosin A 
Clethramycin 
clethroidoside C 
clethroidoside D 
clethroidoside F 
clionastatin A 
clionastatin B 
clodronic acid  
clofarabine  
clofibric acid +   
Clonostachydiol 
CM-272 
CMP-N-acetyl-beta-neuraminate(2-) +  
CMP-N-glycoloyl-beta-neuraminate(2-) 
CNDAC +  
cob(I)alamin 
cob(II)alamin 
cobamamide +   
cobimetinib  
cobimetinib fumarate 
cocaine(1+) +   
cochinchinone A 
cochinchinone B 
cochinchinone C 
cochinchinone G 
cochinchinoxanthone 
cochinensoxanthone 
cochliodinol 
Cochliomycin A, (rel)- 
cocosamide A 
cocosamide B 
coenzyme A(4-) +  
coenzyme Q10  
coetsin B 
Colletotrialide, (+)- 
colossolactone VIII 
colpol 
columbianadin 
comazaphilone D 
comazaphilone E 
comazaphilone F 
combretanone E 
combretanone F 
combretanone G 
combretic acid B 
combretol 
comosone A 
comosusol A 
comosusol B 
comosusol C 
comosusol D 
complestatin A 
complestatin B 
concanamycin A  
conduritol A 
conferol A 
conferol B 
conferol, (rel)- 
conferoside 
confertin 
Coniochaeton A 
Conoideocrellide A 
Conoideocrellide B 
Conoideocrellide C 
Conoideocrellide D 
convallasaponin A 
convallatoxin 
copanlisib +   
copanlisib dihydrochloride 
coprine 
coproporphyrin I 
coproporphyrin III 
coproporphyrinogen I 
coproporphyrinogen III(4-) 
coptisine  
cordycepin triphosphate 
cordyheptapeptide A 
cordyol C 
corosolic acid  
corticosterone +   
cortisol +   
cortisol 21-sulfate 
cortisone +   
corymbolone 
Corynantheidine 
corynebactin 
corynoline  
Corynoxine 
Corynoxine B  
coscinoquinol, (rel)- 
Cosmosporaside A 
Cosmosporaside B 
Cosmosporaside C, (rel)- 
Cosmosporaside D, (rel)- 
Cosmosporaside E, (rel)- 
costunolide +   
coumarin +   
coumermycin A1  
CP-724714 
crassifogenin C 
crassolide 
crassumolide A 
cratoxyarborenone A 
cratoxyarborenone B 
cratoxyarborenone C 
cratoxyarborenone D 
cratoxyarborenone E 
cratoxyarborenone F 
cratoxylumxanthone C 
creatine +   
creatinine  
cremeomycin 
crenolanib 
crinamabine Trifluoroacetic acid 
crispolide 
crizotinib +   
crocetin +   
croomine 
Crotocin 
crotonoyl-CoA(4-) 
cryptocaryol C 
cryptocaryol D 
cryptocaryol E 
cryptolepine  
cryptomeridiol 
cryptopleurine 
CTP(4-) +  
cucurbitacin E 2-O-beta-D-glucopyranoside 
cucurbitacin I +   
cudraflavone C 
cudranian 1 
cudranian 2 
cudratricusxanthone A  
cuevaene A 
cumingianoside A 
cumingianoside B 
cumingianoside C 
cumingianoside D 
cumingianoside E 
cumingianoside F 
cupacinoside 
cupacinoxepin, (rel)- 
cupressuflavone  
curacozole 
curcumin +   
curtisian A 
curtisian B 
curtisian C 
curtisian D 
Cuscuta propenamide 1 
CX-5461  
cyanate +   
cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside) 
cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside) 
cyanidin 3-O-beta-D-glucoside 
cyanidin 3-O-beta-D-sambubioside 
cyanidin cation +   
cyanogenic glycoside +   
cyclic ADP-beta-D-ribose +   
cyclo(DeltaAla-L-Val) 
Cyclo(glycyltryptophyl) 
cyclo(L-Phe-L-Pro) 
cyclo(L-phenylalanyl-L-leucyl) 
cyclo(L-Pro-L-Val) 
cyclo(L-tyrosyl-L-tyrosyl) +  
cycloart-23-ene-3beta,25-diol 
cycloastragenol +   
Cyclobuxophylline K 
cyclodepsipeptide 2 
cycloinumakiol 
cyclomontanin A 
cyclomontanin C 
cyclomontanin D 
cyclonataminol 
cyclophosphamide +   
cyclophosphamide hydrate 
cycloshizukaol A 
Cyclosordariolone, (rac)- 
cyclosporin A +   
cyclotetradecane +   
cyperusol C 
Cys-Cys-His-His 
Cys-Met-Met-Met 
Cys-Met-Thr-Tyr 
Cys-Phe-Phe-Gly 
Cys-Pro 
Cys-Ser 
cystathionine +   
cysteamine +   
cysteaminium 
cystine +   
cystine zwitterion +  
cystodytin D +  
cystodytin E +  
cystodytin F 
cystodytin G 
cystodytin H 
cystodytin I 
cystothiazole A 
cytarabine  
cytidine +   
cytidine 5'-monophosphate +   
cytidine 5'-monophosphate(2-) +  
cytochalasin B  
cytochalasin D  
Cytochalasin E 
cytoglobosin C 
cytoglobosin D 
cytonic acid A 
cytonic acid B 
cytosine +   
cytosporic acid 
Cytosporin D 
cytotrienin A 
D-2-aminoadipic acid 
D-Ala-Gly 
D-Ala-Gly-Gly 
D-Ala-Leu 
D-alaninate 
D-alanine +   
D-alaninium 
D-argininium(1+) +  
D-aspartate(1-) +  
D-cycloserine +   
D-erythrose 4-phosphate  
D-erythrose 4-phosphate(2-) 
D-fructose 6-phosphate(2-) 
D-galactonate +  
D-galactono-1,4-lactone +  
D-galactopyranose 1-phosphate +   
D-galactopyranose 6-phosphate +  
D-galactose +   
D-glucarate(2-) +  
D-glucaric acid +  
D-glucitol +   
D-gluconate +  
D-glucopyranose +   
D-glucopyranose 6-phosphate(2-) +  
D-glucopyranuronate +  
D-glucosamine +   
D-glucosamine 6-phosphate +   
D-glucosyl 6-hydroxyindole-3-carboxylate 
D-glucosyl indole-3-carboxylate 
D-glucosyl-N-acylsphingosine +  
D-glucuronate +  
D-glucuronate 1-phosphate 
D-glucurono-6,3-lactone  
D-glyceraldehyde +   
D-kynurenine 
D-mannitol +   
D-mannitol 1-phosphate 
D-mannopyranose +   
D-mannose 1-phosphate +  
D-o-tyrosine +  
D-ornithinium(1+) 
D-pipecolate 
D-pipecolic acid 
D-prolinate 
D-prolinium +  
D-prolinol 
D-ribono-1,4-lactone 
D-ribose +   
D-ribose 1-phosphate +  
D-ribosylnicotinate 
D-ribulose +  
D-ribulose 5-phosphate(2-) 
D-serine +  
D-tagatofuranose 1,6-bisphosphate(4-) 
D-tagatofuranose 6-phosphate(2-) 
D-threitol  
D-xylulose +   
D-xylulose 5-phosphate(2-) +  
dabrafenib +   
dabrafenib mesylate 
dacarbazine +   
dacomitinib  
dactolisib  
dADP +  
dADP(3-) 
daedalin A 
daibucarboline A 
daibucarboline B 
daibucarboline C 
daibulactone A, (rel)- 
daibulactone B, (rel)- 
daibuoxide 
daidzein +   
daidzein(1-) 
dammarenediol-II +  
daphnoretin 
dasatinib (anhydrous) +  
dasatinib monohydrate 
dATP(4-) 
daunorubicin +   
davidigenin 
DC 517 
dCDP 
dCDP(3-) +  
dCTP +   
deacetyllaurenobiolide 
deacetyltanghinin 
Deacetyltaxol 
deamido-NAD(+) +   
deapio-platycodin D 
deapio-platycodin D2 
deapio-platycodin D3 
deapio-platyconic acid B lactone 
deapioplatycoside E 
debrisoquin +   
debromolaurinterol 
dec-1-yne 
dec-9-enoic acid +  
decan-1-ol +   
decane-1,2-diol 
decanoate +  
decanoic acid +   
decanoyl-[acyl-carrier protein] 
decanoyl-CoA(4-) +  
decanoylcholine 
Decarboxyhydroxycitrinone 
Decarine 
decatromicin A 
decatromicin B 
decursinol 
Defencath 
deguelin  
dehydro-gamma-tocopherol 
dehydroabietic acid 
dehydroascorbide(1-) 
Dehydrocorydalmine 
Dehydrocorytenchine 
dehydrocostus lactone  
dehydrodiconiferyl dibenzoate 
dehydroepiandrosterone +   
dehydroepiandrosterone sulfate  
dehydroepiandrosterone sulfate(1-) +  
dehydroergosterol 
dehydroisoandrosterone 3-glucuronide 
Dehydromelanoxin 
DEL-22379 
delanzomib 
delphinidin +   
delphinidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) 
delphinidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside) 
delphinidin 3-O-(6-O-acetyl-beta-D-glucoside) 
delphinidin 3-O-beta-D-sambubioside 
delphinidin(1-) +  
Delta(12)-prostaglandin J3 
delta(8,14)-2-hydroxy-6-deoxyswietenine 
Delta(9)-tetrahydrocannabinol +   
Delta(9)-tetrahydrocannabinolic acid  
delta-tocotrienol  
demethoxycurcumin  
demethylkotanin 
dendrocandin C 
dendrocandin D 
dendrocandin E 
Dentatin 
deoxycholate +  
deoxycholoyl-CoA(4-) 
deoxyhypusine +  
deoxylapachol 
deoxylimonoic acid 
deoxypodophyllotoxin  
deoxyribonucleic acid +  
depdecin 
depsidones +  
dequalinium +   
dequalinium chloride 
desacetylpyramidaglain D 
descarbamoylnovobiocin 
desferrioxamine E 
desfuranoazadiradione 
deslanoside 
desmethyldescarbamoylnovobiocin 
desmosterol +   
devazepide  
dexamethasone +   
dexormaplatin 
dexrazoxane hydrochloride 
dGDP(3-) 
dGTP  
DH334 
DH334(1+) +  
DHET +  
diacylglycerol 34:0 +  
diacylglycerol 34:5 +  
diacylglycerol 36:1 +   
diacylglycerol 38:2 +  
diacylglycerol 38:7 
diallyl disulfide  
diallyl trisulfide  
diandraflavone 
dianversicoside A 
dianversicoside B 
dianversicoside C 
dianversicoside D 
dianversicoside E 
dianversicoside F 
dianversicoside G 
diarsenic trioxide  
diazepinomicin 
diaziquone  
diazoethane 
diazomethane 
dibenarthin 
dibenzo[a,l]pyrene  
dibenzothiophene 5-oxide 
dibenzoylmethane +   
dibenzyl disulfide 
dibenzyl ether 
dibutyl phthalate  
dicerandrol A 
dicerandrol B 
dicerandrol C 
Dichamanetin 
dichloroverongiaquinol 
Dichotomide IX 
Dichotomide VII 
Dichotomide VIII 
Dichotomide X 
Dichotomide XI 
Dichotomide XII, (rel)- 
Dichotomide XIII, (rel)- 
Dichotomide XIV 
diclofop +   
Didehydrostemofoline 
didemnidine A 
Didemnidine B 
didemnimide A 
didemnimide B 
didemnimide C 
didemnimide D 
Didemnin B 
dieckol  
diethyl 2-hydroxypentanedioate 
diethyl fumarate  
diethyl glutarate 
diethyl malate  
diethylene glycol diacetate 
diethylstilbestrol +   
diflomotecan 
diglyceride +   
digoxigenin monodigitoxoside 
DiHDPE +  
DiHOME +  
dihomolinoleate 
dihomolinoleic acid +  
dihydroagarofuran +   
dihydroascorbigen hexoside +  
Dihydroauroglaucin 
dihydrobetulinic acid 
dihydrochelirubine 
Dihydrocorynantheine  
Dihydrocubebin, rel- 
dihydrodaidzein 
dihydrofolate(2-) 
Dihydrofurospongin-2 
dihydrogen +   
dihydrolipoamide +   
dihydrolipoate +  
dihydrolipoic acid +   
dihydrolipoylprotein 
dihydromotuporamine C 
dihydromyrcenol 
dihydrophaseic acid 
dihydrosanguinarine +   
dihydrosterigmatocystin +  
dihydrovittatine Trifluoroacetic acid 
dihydroxanthohumol 
dihydroxyacetone +   
dihydroxyacetone phosphate  
diinsinin 
diinsininol 
Dillapiole 
dilopholide 
dimethylamine +   
dinaciclib  
dinochrome A 
Dinoxin B 
dioncopeltine A 
dioncophylline A 
Dioncophylline B 
dioncophylline C 
diorcinol 
dioscin  
diosgenin +   
diosgenin 3-O-beta-D-glucoside 
diosmetin +   
dioxygen +   
diperamycin 
diphosphate(3-) +  
diplotrin B 
diplotrin C 
disodium cytidine 5'-monophosphate 
disulfiram  
dITP(4-) 
diuvaretin 
DMH1 
DMH4 
docetaxel anhydrous +  
Docetaxel Hydroxy tert-Butylcarbamate 
docetaxel trihydrate 
docosahexaenoic acid +   
docosanedioic acid 
Docosyl trans-ferulate 
dodec-10-yn-1-ol 
dodecamethylpentasiloxane 
dodecanamide 
dodecanedioate(2-) 
dodecanedioic acid +   
dodecyl palmitate 
Dolabellane analog-7 
Dolabellane analog-8 
dolastatin 10 
Dolastatin 12 
Dolastatin 16 
dolichol +   
dolichyl beta-D-glucosyl phosphate 
dolichyl D-mannosyl phosphate +  
dolichyl diphosphate 
dolichyl phosphate(2-) 
dopa +   
dopamine +   
dopaminium(1+) 
dopaminoquinone 
dordaviprone 
dorsilurin F 
dorsilurin G 
dorsilurin H 
dorsilurin I 
dorsilurin J 
dorsilurin K 
dotriacontanoic acid +  
doxazosin +   
doxifluridine  
dragomabin 
dragonamide A 
dromostanolone propionate 
drummondin D 
drummondin E 
drummondin F 
drymaritin 
DS-1-38 
dTDP(3-) 
dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) 
dTDP-4-dehydro-6-deoxy-L-mannose(2-) 
dTDP-alpha-D-glucose(2-) +  
dTDP-beta-D-fucofuranose 
dTDP-beta-L-mycarose 
dTDP-L-rhamnose +  
dTMP(2-) +  
dTTP(4-) 
dUDP(3-) 
dUMP +   
dUMP(2-) +  
Duplicate chrysazin 
Duplicate chrysophanol 
Duplicate eugenitin 
Duplicate orcinol 
Duplicate orsellinic acid 
Duplicate sterigmatocystin 
durhamycin A 
durhamycin B 
dutomycin 
dUTP +  
dynorphin A-(1-12)(4+) 
dynorphin A-(1-13)(5+) 
dysidine 
dysolenticin C 
dysolenticin G 
Dysolenticin J 
dysoxyhainanin A 
dyspropterin +  
dzununcanone 
E-3810 
E-3810 free base 
ebselen  
ecgonine +   
ecgonine methyl ester +   
ecgoninium methyl ester(1+) 
eckol +   
eckstolonol 
edaxadiene +  
edelfosine  
EET +   
Effusanin B 
effusanin D 
EG00229 
egonol acetate +  
egonol-2-methylpropanoate 
ehretianone 
EI-1511-3 
eichlerianic acid 
Ejap-2 
ekatetrone 
elacestrant 
elaeodendroside B 
elaeodendroside F 
elaeodendroside G 
elaeodendroside T 
elaeodendroside U 
elaeodendroside V 
elaeodendroside W 
elaidylphosphocholine 
elephantin 
elesclomol +   
elesclomol-Cu(II) 
elisidepsin 
ellipticine  
elongatol A 
elongatol E 
eltanexor 
emarginatine B 
emarginatine F 
embelin +   
emericellamide +  
emericellin 
emetine +   
emetine dihydrochloride +  
emetine dihydrochloride hydrate 
emodin +   
emodin(1-) 
enasidenib  
endiandramide A 
endiandramide B, rel- 
endiandric acid K, rel- 
endiandric acid L, rel- 
endocannabinoid +   
endocrocin 
englerin A 
enitociclib 
Enmein 
enniatin +   
enrofloxacin  
ent-11alpha-hydroxy-18-acetoxykaur-16-ene 
ent-11beta-acetoxykaur-16-en-18-ol 
ent-13S-hydroxy-16-atisene-3,14-dione 
ent-14beta-hydroxy-18-acetoxykaur-16-ene 
ent-4beta,10alpha-dihydroxyaromadendrane 
ent-7alpha-hydroxy-18-acetoxykaur-16-ene 
ent-Alpinnanin A 
ent-Alpinnanin B 
ent-Calyxin H 
ent-Eusynstyelamide B, (rel)- 
ent-kaur-16-en-19-oic acid 
ent-manool 
ent-spathulenol 
entinostat +   
entkaurane-3beta,16beta-diol 
entrectinib  
enzalutamide  
eoxin A4 
eoxin C4 
eoxin D4 
eoxin E4 
EpETE +  
epi-Calyxin H 
epi-cochlioquinone A 
epi-maslinic acid 
epi-silvestrol 
epi-tulipinolide 
epi-Velatumolide 
epiandrosterone +  
epiandrosterone sulfate 
epiandrosterone sulfate(1-) 
epicatechin-(4beta->8)-4'-O-methylgallocatechin 
epicubebol methyl ether 
epidermin 
epidihydrocholesterin 
epigallocatechin-(4beta->8)-4'-O-methylgallocatechin 
epigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate 
epigallocatechin-(4beta->8,2beta->O-7)-epicatechin 
Epigallocatechin-3-O-ferulate 
Epimauritine A 
Epimauritine A N-oxide 
epirobinetinidol-(4beta,8)-catechin 
epitestosterone +   
epivittatine Trifluoroacetic acid 
epothilone A  
epothilone B  
epothilone D 
epoxydocosapentaenoic acid +  
epoxyoctadecenoic acid +  
Epoxypholamin A 
Epoxypholamin B 
Epoxypholamin C, (rel)- 
Epoxypholamin D, (rel)- 
Epoxypholamin E, (rel)- 
epoxytwinol A 
erastin  
erdasporine A 
erdasporine B +  
erdasporine C 
ergolide 
Ergosterol D 
ergosterol peroxide  
ergosteryl 3-beta-D-glucoside 
ergosteryl palmitate 
eribulin 
eribulin mesylate 
Eriocasin B, (rel)- 
Eriocasin C 
Eriocasin D 
Eriocasin E 
Eriocatisin A 
eriodictoyl-7-O-sophoroside 
eriosemaone C 
erlotinib +   
erlotinib hydrochloride  
erteberel 
erucamide  
erybraedin A 
erylatissin A 
erylatissin B 
erythritol +  
erythro-4-hydroxy-L-glutamate(1-) 
erythro-5-hydroxy-L-lysine 
erythro-5-hydroxy-L-lysinium(1+) 
erythro-carolignan E 
erythronate +  
erythronic acid +  
erythronolide +   
ES-242-1 
esculeogenin A 
esculeoside A 
esculin +  
esperamicin A1 
espicufolin 
Essramycin 
estetrol 
estra-1(10),4-diene-2,3,17-trione 
estra-1,5(10)-diene-3,4,17-trione 
estradiol +   
estramustine +   
estriol +   
estrone +   
estrone 3-O-(beta-D-glucuronide)  
estrone 3-sulfate  
estrone 3-sulfate(1-) 
Esulatin H, (rel)- 
Esulatin I, (rel)- 
Esulatin J, (rel)- 
Esulatin K, (rel)- 
Esulatin L, (rel)- 
Esulatin M, (rel)- 
etanidazole  
ethanol +   
ethanolamine +   
ethanolaminium(1+) +  
ethoxide +  
ethyl (2E)-2-decenoate 
ethyl (2Z)-but-2-enoate 
ethyl 1-allylcyclopropanecarboxylate 
ethyl 2-heptenoate 
ethyl 2-hexenoate 
ethyl 2-hydroxy-3-phenylpropanoate 
ethyl 2-hydroxypropanoate +  
ethyl 2-methylbutyrate 
ethyl 2-octenoate 
ethyl 2-phenylethyl butylphosphonate 
ethyl 2-phenylethyl dimethylmalonate 
ethyl 3,3,4-trimethylpentanoate 
ethyl 3-hexenoate 
ethyl 3-hydroxybutyrate +  
ethyl 3-hydroxytridecanoate 
ethyl 3-methylbutyl butanedioate 
ethyl 3-nonenoate 
ethyl 4-octenoate 
ethyl 4-oxobutanoate 
ethyl 4-tert-butylbenzoate 
ethyl 5-hexenoate 
ethyl 9-decenoate 
ethyl acetate  
ethyl cyclohexanecarboxylate 
ethyl decanoate 
ethyl heptanoate 
ethyl hexanoate 
ethyl isovalerate 
ethyl lansiolate 
ethyl laurate 
ethyl linolenate 
ethyl methanesulfonate  
ethyl nonanoate 
ethyl octanoate 
ethyl phenylglyoxylate 
ethyl phosphate(2-) 
ethyl propionate 
ethyl sorbate 
ethyl trans-caffeate  
ethyl tumonoate A 
ethylamine +   
ethylene glycol +   
ethylmalonic acid +   
etidronate disodium 
etidronic acid  
etnangien 
etoposide  
Etrogol 
eucalyptal A 
eucalyptal B 
eucalyptal C 
Eucomic acid, (-)- 
eudistomin C 
eugeniin 
eugenitin 
eugenol +   
eukaryotic metabolite +   
Eunicea sesquiterpenoid 2 
Eunicea sesquiterpenoid 3 
Eunicea sesquiterpenoid 5 
Eunicea sesquiterpenoid 6 
Eunicea sesquiterpenoid 7 
Euonymine 
eupaheliangolide A 
Euparin 
eupatilin  
Eupatobenzofuran, (rel)- 
eupatolide 
eupatorin  
Euphodendriane A, (rel)- 
Euphodendrophane A, (rel)- 
Euphodendrophane B, (rel)- 
Euphodendrophane C, (rel)- 
Euphodendrophane D, (rel)- 
Euphodendrophane E, (rel)- 
Euphodendrophane F, (rel)- 
Euphorbia diterpenoid 1 
Euphorbia diterpenoid 2 
Euphorbia diterpenoid 3 
Euphorbia substance SPr 5 
Euphorbiaproliferin A, (rel)- 
Euphorbiaproliferin B, (rel)- 
Euphorbiaproliferin C 
Euphorbiaproliferin D 
Euphorbiaproliferin E 
Euphorbiaproliferin F 
Euphorbiaproliferin G 
Euphorbiaproliferin H 
Euphorbiaproliferin I 
Euphorbiaproliferin J 
euphornin L 
Euphorprolitherin B 
Euphorprolitherin C 
Eupolauridine 
Eupolauridine N-oxide 
eurycomanone  
eurysterol A 
eurysterol A sulfonic acid 
eurysterol B 
eurysterol B sulfonic acid 
Euscaphic acid A, (rel)- 
Euscaphic acid B 
Euscaphic acid C 
Euscaphic acid D 
Euscaphic acid E 
Euscaphic acid F 
Eusynstyelamide D 
Eusynstyelamide E 
Eusynstyelamide F 
euxanthone  
everolimus  
evofosfamide  
evolvoid A 
exemestane  
exendin-3 
exiguaflavanone A 
exiguaflavanone B 
F390B 
F390C 
FAD  
FADH2(2-) +  
falcarindiol  
fangchinoline  
Farinamycin 
farnesyl acetone 
farrerol  
Farylhydrazone A 
fatsicarpain A 
fatsicarpain D 
fatsicarpain F 
fatsicarpain G 
fattiviracin A1 
fazarabine 
FD-211 
ferilin 
ferocaulidin 
ferricrocin 
ferricytochrome b5 
ferricytochrome c +  
ferrocytochrome c +  
ferroheme b +   
ferroptocide 
ferruginene A, (rel)- 
ferruginene B, (rel)- 
ferruginene C 
ferruginol +   
feselol 
fijianolide A 
fijianolide D 
filicinic acid +  
fingolimod +  
fingolimod phosphate 
FINO2 
firocoxib 
fischeroside A 
fischeroside B 
fischeroside C 
fisetin +   
fisetinidol-(4alpha,6)-gallocatechin 
fisetinidol-(4alpha,8)-catechin 
flavagline +  
flavaspidic acid AB 
flavaspidic acid PB 
flavipin 
Flavoglaucin 
flavokawain B  
flavone +   
flazin 
fleephilone 
floribundasaponin A 
floxuridine  
fludarabine phosphate 
fluopsin C 
fluoxymesterone  
flutamide  
fluvirucin A1 +  
FMN +   
FMN(3-) +  
folic acid +   
fomitopinic acid A 
foretinib 
formate +  
formestane  
formic acid +   
formycin A +  
formyl-5-hydroxykynurenamine 
formyl-CoA(4-) 
formylthiophene 
forskoditerpenoside C 
forskoditerpenoside D 
forskoditerpenoside E 
fostriecin  
fotemustine  
foveolin A 
FR177391 
FR191512 
FR901463 
FR901464 
FR901465 
FR901469 hydrochloride 
frenolicin B  
friedelane +  
fructosylglycine 
fruquintinib 
fruticoside A 
fruticoside G 
fucodiphloroethol G 
fucoidan  
fucosterol +   
fukanefuromarin A 
fukanefuromarin B 
fukanefuromarin C 
fukanefuromarin D 
fukanefuromarin E 
fukanefuromarin F 
fukanefuromarin G 
fukanemarin A 
fukanemarin B 
fulvestrant  
fumarate(2-) +  
fumicycline A 
fumigaclavine A 
fumigaclavine B 
fumigaclavine C +   
fumonisin B1  
fundamental metabolite +   
furano[2'',3'':6,7]aurone 
furanocandin 
furcatin 
furfural 
Furospongin-1 
Furospongin-4 
Furospongolide 
furowanin B 
Fusarentin 6,7-dimethyl ether 
Fusarentin 6-methyl ether 
fusarithioamide A 
fusicoauritone 
futokadsurin A 
futokadsurin B 
futokadsurin C 
fuzanin D 
FX1 
G-1 
G-15 
G-573 
gaboroquinone A 
galactarate(1-) 
galactarate(2-) 
galactaric acid +   
galactitol +  
galactonic acid +  
galanthamine Trifluoroacetic acid  
gallic acid +   
gallium nitrate  
gallocatechin +   
gamma-aminobutyrate +   
gamma-aminobutyric acid +   
gamma-butyrolactone +  
gamma-CEHC beta-glucuronide 
gamma-Glu-Gln 
gamma-Glu-Gln(1-) 
gamma-Glu-Glu 
gamma-Glu-Glu(2-) 
gamma-Glu-Gly 
gamma-Glu-Ile 
gamma-Glu-Leu 
gamma-Glu-Met 
gamma-Glu-Met(1-) 
gamma-Glu-Tyr 
gamma-Glu-Tyr(1-) 
gamma-Glu-Val 
gamma-Glu-Val(1-) 
gamma-glutamyl-Se-methylselenocysteine 
gamma-glutamylphenylalanine 
gamma-glutamylthreonine +  
gamma-linolenate +  
gamma-linolenic acid +   
gamma-linolenoyl-CoA(4-) 
gamma-mangostin 
gamma-thiomethyl glutamate 
gamma-tocotrienol  
gammaGluCys(4MeOI3M)Gly 
gammaGluCys(IAN) 
gammaGluCys(IAN)Glu 
gammaGluCys(IAN)Gly 
Ganodermanontriol 
ganoderone A 
ganoderone C 
Ganschisandrin 
GANT61 
garbanzol 
garciniaxanthone F 
garciniaxanthone G 
garciniaxanthone H 
gardenoside 
gardfloramine 
Gardfloramine-N(4)-oxide 
gardneramine 
gardneramine-N(4)-oxide 
gartanin 
gartisertib 
gastrin +   
gastrin-17  
Gaudichaudianic acid, (-rac) 
gaudichaudiic acid F 
gaudichaudiic acid G 
gaudichaudiic acid H 
gaudichaudiic acid I 
GDC-0326 
GDC-0623 
GDC-0879 
GDP(3-) +  
GDP-4-dehydro-6-deoxy-alpha-D-mannose(2-) 
GDP-alpha-D-mannose +  
GDP-alpha-D-mannose(2-) 
GDP-glucose +   
GDP-L-fucose(2-) 
gedunin +   
gefitinib +   
geissoschizoline 
geldanamycin +   
gelomulide K 
gelomulide M 
gelsemiol-6'-trans-caffeoyl-1-glucoside 
gemcitabine +   
gemcitabine hydrochloride 
gemini-0072 
gemini-0097 
Gemmacolide G, (rel)- 
Gemmacolide H, (rel)- 
Gemmacolide I, (rel)- 
Gemmacolide J, (rel)- 
Gemmacolide K, (rel)- 
Gemmacolide L, (rel)- 
Gemmacolide M, (rel)- 
genistein +   
genkwanin  
gentisyl alcohol 
geranyl diphosphate(3-) 
geranyl phosphate 
geranyllinalool +  
gerfelin 
geumonoid 
ghrelin  
GI254023X 
gibberellin A1(1-) 
gibberellin A51-catabolite 
gibberellin A8-catabolite 
gibberosin K 
gibberosin L 
gigantetronenin 
gigantrionenin 
gilteritinib 
gilvusmycin 
gingerol  
ginkgetin  
ginkgolide B  
ginsenoside C-K  
ginsenoside F2  
ginsenoside Mc 
ginsenoside Mx 
ginsenoside Re  
ginsenoside Rf  
Ginsenoside Rg5  
Girinimbine 
girolline 
gitaloxin 
Gitingensine 
givinostat 
givinostat hydrochloride +  
givinostat hydrochloride monohydrate 
glasdegib 
glaucarubinone 
glionitrin A 
glioperazine B 
Gln-Glu 
Gln-Gly 
Gln-Leu-Leu-Pro 
Gln-Lys-Arg 
Gln-Phe-Trp-Tyr 
globostellatic acid A 
globostellatic acid B 
globostellatic acid C 
globostellatic acid D 
globosumone A 
globosumone B 
globosuxanthone A 
glochierioside A 
glochierioside B 
Glu-Ala 
Glu-Ala-Trp 
Glu-Asp 
Glu-Asp-Gln-Gln 
Glu-Asp-Ile 
Glu-Cys 
Glu-Cys-Cys 
Glu-Glu-Gln-Trp 
Glu-Glu-Glu 
Glu-Glu-Gly 
Glu-Glu-Ile 
Glu-Gly 
Glu-Gly-Trp 
Glu-Ile-Phe 
Glu-Ile-Ser 
Glu-Ile-Val 
Glu-Leu 
Glu-Leu-Phe-Ala 
Glu-Lys 
Glu-Lys-Trp-Ala 
Glu-Met 
Glu-Phe-Gln-Gln 
Glu-Phe-Val 
Glu-Pro 
Glu-Ser 
Glu-Thr 
Glu-Thr-Thr-Tyr 
Glu-Trp 
Glu-Tyr 
Glu-Val-Val 
glucarate(2-) +  
glucaric acid +   
Glucodichotomine B 
glucoheptonic acid 
glucuronic acid +   
glutaconate(2-) +  
glutaconic acid +  
glutarate(1-) +  
glutarate(2-) +  
glutaric acid +   
glutaryl-CoA(5-) 
glutathionate(1-) +  
glutathione +   
glutathione disulfide(2-) 
glutathioselenol +  
glutaurine 
Gly-Ala 
Gly-Arg 
Gly-Asn 
Gly-Asp 
Gly-Cys +  
Gly-Gln 
Gly-Glu 
Gly-Gly-Ala 
Gly-Gly-Ile 
Gly-Gly-Leu 
Gly-Gly-Phe 
Gly-His 
Gly-His-Lys  
Gly-Ile 
Gly-Leu 
Gly-Lys 
Gly-Met 
Gly-Phe 
Gly-Phe zwitterion 
Gly-Phe-Phe 
Gly-Pro 
Gly-Pro-Hyp 
Gly-Ser +  
Gly-Thr 
Gly-Trp 
Gly-Tyr 
Gly-Val 
glyceraldehyde 3-phosphate +   
glyceraldehyde 3-phosphate(2-) 
glycerate +  
glycerol +   
glycerol 1-phosphate +   
glycerone phosphate(2-) 
glycochenodeoxycholate +  
glycochenodeoxycholic acid +   
glycocholate +  
glycocholic acid +   
glycodeoxycholate +  
glycodeoxycholic acid +   
glycohyocholate 
glycohyocholic acid 
glycolaldehyde +   
glycolate +  
glycolic acid +   
glycolithocholate 
glycylglycine 
glycylglycine zwitterion 
glycyrin  
glycyrol  
glycyrrhizol B 
glyoxylate +  
glyoxylic acid +   
GM 193663 
Gnidiglaucin 
gnidilatimonoein 
gondamide 
gondoate +  
Grahamine A, (rel)- 
Grahamine B, (rel)- 
Grahamine C, (rel)- 
Grahamine D, (rel)- 
Grahamine E, (rel)-1 
graminone B 
granaticin 
grandiflorenic acid 
Grandilodine A, (rel)- 
Grandilodine B, (rel)- 
Grandilodine C 
grassypeptolide 
Grassypeptolide D 
Grassypeptolide E 
Grassypeptolide F 
Grassypeptolide G 
graveolide 
grayanotoxin I 
griffithane A 
griffithane B 
griffithane D 
griseusin B 
grixazone A 
grixazone B 
GSK046 
GSK1059615 
GSK126 
GSK2656157  
GSK2879552 
GSK343  
GSK461364 
GSK690693  
GTP(4-) +  
GTRI-02 
guanazole 
Guangomide A 
guanidinoacetic acid 
guanine +   
guanosine 5'-monophosphate +   
guanosine 5'-monophosphate(2-) +  
gummiferaoside A 
gummiferaoside B 
gummiferaoside C 
Gumoside A 
Gumoside B 
Gumosin 
Gusanlungionoside A 
Gusanlungionoside B 
Gusanlungionoside C 
Gusanlungionoside D 
gustastatin 
gut flora metabolite +  
gutolactone 
Guttiferone A (rel-(+)) 
guttiferone A, (rel-(+))- 
guttiferone E 
guttiferone F 
GW843682X 
gypsogenic acid +  
GYS32661  
HA15 
hadacidin 
halauxifen +  
halisphingosine A 
halistanol sulfate F 
halistanol sulfate G 
halistanol sulfonic acid F 
halistanol sulfonic acid G 
halisulfate 1, (rel)- 
Halisulfate 2 
hallactone B 
halosterol A 
halosterol B 
hamacanthin A +  
hamayne Trifluoroacetic acid 
Haploperoside 
harmine +   
harziphilone 
HC toxin  
hebitol II 
HEDE +  
hederacine A 
hederacine B 
hedychilactone D 
helenalin  
heliangin 
helicin 
Helioside A 
Helioside B 
Helioside C 
helioxanthin  
Helogenin 
Heloside A, (rel)- 
Heloside B 
helveticoside  
heme +   
henricine B 
henryin 
hentriacontan-16-one 
heparan sulfate  
HEPE +  
heptadecanoyl-CoA 
heptan-3-one +   
Heptaphylline 
heptylmalonic acid 
herbacetin  
Herdmanine A 
Herdmanine B 
Herdmanine C 
Herdmanine D 
hermannioside B 
hernandonine 
hesperetin +   
hesperetin 7-O-beta-D-glucoside 
HETrE +  
hexadecan-1-ol +  
hexadecanal +  
hexadecanamide 
hexadecanedioate(2-) 
hexadecanedioic acid +  
hexadecanoate +   
hexadehydroastechrome 
hexan-2-ol 
hexane-2,3-dione  
hexanoate +   
hexanoic acid +   
hexanoyl-CoA +   
hexyl acetate 
hexyl heptanoate 
hexyl propanoate 
HG-9-91-01 
hiiranlactone C 
himastatin 
Hinesol beta-D-fucopyranoside, (rel)- 
hinokiflavone  
hippeastrine 
Hippolide A 
Hippolide B 
Hippolide C 
Hippolide D 
Hippolide F 
Hippolide G 
Hippolide H 
HippolideE 
Hirsutalin A 
Hirsutalin B, (rel)- 
Hirsutalin C, (rel)- 
Hirsutalin D, (rel)- 
Hirsutalin E 
Hirsutalin F 
Hirsutalin G, (rel)- 
Hirsutalin H, (rel)- 
hirsutellide A 
His-Ala 
His-Ala zwitterion 
His-Asp 
His-Glu 
His-Gly 
His-Leu 
His-Lys 
His-Met 
His-Pro 
His-Ser 
His-Trp 
His-Tyr 
His-Val 
hispidospermidin 
hispidulin  
histamine +   
histaminium 
histidine +   
histidine methyl ester 
histrelin +  
histrelin acetate 
histrionicotoxin 
HMN-214 
Hofmeisterin II 
holo-[acyl-carrier protein] 
holomycin +  
holothurin A3 
holothurin A4 
homocarnosine +  
homocysteine zwitterion 
homocystine +  
homocystine zwitterion +  
homoeriodictyol +   
homogentisate 
homogentisic acid 
homoserine +  
homovanillate 
homovanillic acid +   
hookerianamide H 
hookerianamide I 
hookerianamide K 
hordatine A 
hordatine B 
hordenine 
horminone +  
HOTrE +  
HPI-1 
human blood serum metabolite +   
human urinary metabolite +   
human xenobiotic metabolite +   
humulone 
huratoxin 
hyaluronic acid  
hydantoin-5-propionic acid 
hydrangeic acid 4'-O-beta-D-glucopyranoside 
hydrangenol 4'-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside 
hydrangenol 4'-O-beta-D-glucopyranoside 
hydrangenol 8-O-beta-D-glucopyranoside 
Hydrastine  
hydrazinocurcumin 
hydrogen cyanide +   
hydrogen sulfide +   
hydrogencarbonate +   
hydrogensulfite +   
hydropyrenol 
hydrosulfide +  
hydroxidodioxidosulfidosulfate(1-) 
hydroxyacetone +  
hydroxydocosahexaenoic acid +   
hydroxypalmitic acid +  
hydroxysafflor yellow A  
hydroxytyrosol +   
hydroxyurea  
hydroxyversicolorone 
hydroxyversicolorone(1-) 
hyemaloside A 
hyemaloside C 
hygrolidin 
hygromycin A 
hyodeoxycholate +  
hyodeoxycholic acid +   
hyperaspidinol B 
hyperforin  
hyperidixanthone 
hyperinol A 
hyperinol B 
hyperione A, (rel)- 
hyperione B, (rel)- 
hyperxanthone C 
hyperxanthone E 
hypochlorous acid +   
hypocrellin D 
Hypocrellol A 
Hypocrellol B 
Hypocrellol C 
Hypocrellol D 
Hypocrellol E 
Hypocrellol F, (rel)- 
Hypocrellol G, (rel)- 
hypotaurine +   
hypothemycin 
hypothiocyanous acid 
hypoxanthine 3-N-oxide +  
I-BET151 
ibrutinib  
Ibu-epidemethoxylyngbyastatin 3 
IC202A 
IC202B 
IC202C 
icaceine 
Icariside E4 
icariside II  
ICI-164384  
icosan-1-ol +  
icosanedioic acid 
icosanoate +  
icosanoyl-CoA +  
icosatetraenoic acid +   
ICRF-193 
idelalisib  
IDP(3-) 
iduronic acid +  
Ieodomycin A 
Ieodomycin B 
Ieodomycin C 
Ieodomycin D 
ifosfamide  
iFSP1 
igalan 
ikarugamycin +  
Ile(5)-angiotensin II  
Ile(5)-angiotensin II dizwitterion 
Ile-Ala 
Ile-Arg 
Ile-Asn 
Ile-Gln 
Ile-Gly 
Ile-Gly zwitterion 
Ile-His 
Ile-Ile 
Ile-Leu 
Ile-Leu-Trp-Trp 
Ile-Leu-Val-Tyr 
Ile-Met 
Ile-Phe 
Ile-Pro 
Ile-Ser 
Ile-Trp 
Ile-Tyr 
Ile-Val 
Ilimaquinone  
Illicidione A 
Illicidione B 
Illicidione C 
ilomastat  
imatinib +   
imatinib methanesulfonate  
IMID-2 
imidazol-1-ylacetic acid 
imidazol-2-ylacetic acid 
imidazol-4-ylacetate 
imidazol-5-ylacetic acid 
imidazole-4-acetaldehyde 
imiquimod  
IMP +   
IMP(2-) +  
impatienol 
impatienolate 
imperatorin  
indanomycin 
indicanone 
indirubin  
indisulam 
indol-3-ylacetaldehyde  
indol-3-ylmethylamine 
indole +   
indole-3-acetate 
indole-3-acetic acid +   
indole-3-carboxylic acid +   
indole-3-methanol +   
indole-5,6-quinone-2-carboxylic acid 
indoleacetic acid conjugate +  
indoxyl sulfate  
INDY +  
Inflatin A 
Inflatin B 
Inflatin C 
Inflatin D 
Inflatin E 
Inflatin F 
inflexin 
ingenol +  
ingenol mebutate 
inosine +   
integracin A 
integracin B 
integracin C 
integrastatin A 
integrastatin B 
integric acid 
interiotherin A 
interiotherin B 
interiotherin C 
inuchinenolide B 
inuchinenolide C 
inumakal 
inumakilactone 
inumakilactone B 
inumakoic acid 
iodide +   
iodine atom +   
ionomycin  
ipomotaoside A 
ipomotaoside B 
ipomotaoside C 
ipomotaoside D 
irciformonin B 
irciformonin F 
ircinolin A 
irilone +   
irilone-4'-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside] 
irinotecan  
irinotecan hydrochloride (anhydrous) +  
irinotecan hydrochloride hydrate 
iron(2+) +   
iron(3+) +   
isariotin F 
isatinone A 
isatinone B 
isethionic acid  
isoacetovanillone 
Isoadenolin A 
Isoadenolin B 
Isoadenolin C 
Isoadenolin D, (rel)- 
Isoadenolin E, (rel)- 
Isoadenolin F, (rel)- 
Isoadenolin G, (rel)- 
Isoadenolin H 
Isoadenolin I, (rel)- 
Isoadenolin J 
Isoadenolin K 
Isoadenolin L 
isoamyl acetate 
isoamyl butyrate 
isoamyl isobutyrate 
isoamyl propanoate 
isobavachalcone  
isobrucein A 
isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate 
isobutyl benzoate 
isobutyl butyrate 
isobutyl decanoate 
isobutyl hexanoate 
isobutyrate +  
isobutyric acid anhydride 
isobutyryl-CoA +   
isobutyryl-CoA(4-) 
isocaproate 
isocaproic acid +   
Isochamanetin 
isochamuvaritin 
isochlamydosporol 
isocitrate(3-) +  
isocomplestatin 
isodrummondin D 
isoferulic acid +  
isoflavipucine 
isoformononetin 
Isofurospongin-4 
isoginkgetin 
Isogomisin O 
isohomovanillic acid 
isoiguesterin 
isoimperatorin  
isolapidilectine A 
isolimonene 
isolinderalactone 
isoliquiritigenin +   
isoliquiritin 
isolithocholic acid 
isomaltose +  
isonicotinic acid +   
isonordoperoxide 
isonymphaeol B 
isooctanediol dibutyrate 
isoorientin +   
isoorientin 7-O-glucoside 
isopentenyl alcohol +  
isopentenyl diphosphate(3-) 
isopimara-8(14),15-diene 
Isopreleosibirone 
isopropyl dodecanoate 
isopropyl palmitate  
Isopropylidene derivative of sappanol 
isopulegol 
isopyridoxal  
isorhamnetin +   
isorhamnetin 3-O-alpha-L-[6''''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside] 
isorhamnetin 3-O-beta-D-galactopyranoside 
isorhamnetin 3-O-beta-D-glucopyranoside 
isorhamnetin 3-O-beta-L-galactopyranoside 
isorhamnetin 3-O-beta-L-glucopyranoside 
isorhamnetin 4'-O-beta-D-glucopyranoside 
isorhamnetin 4'-O-beta-L-glucopyranoside 
isorhamnetin 7-O-beta-D-glucopyranoside 
isorhamnetin 7-O-beta-L-glucopyranoside 
isorhapontigenin  
Isorhynchophylline 
isoschaftoside 
isoscoparin +  
isoscutellarein +   
isoscutellarein glycoside 
isosecotanapartholide 
isostrychnine 
isotanshinone IIB 
isoterpinolene 
isotretinoin  
isoursodeoxycholic acid 
isovaleryl-CoA(4-) +  
isovitexin +   
isovitexin 2''-O-arabinoside 
isovitexin 2''-O-beta-D-glucoside 
isovitexin 7-O-[feruloyl]-glucoside 
isovitexin 7-O-[isoferuloyl]-glucoside 
isovitexin 8-C-beta-glucoside 
isowighteone hydrate 
isowigtheone hydrate 
isoxanthochymol 
itaconate(2-) 
itaconic acid +  
itaconyl-CoA(5-) 
ITP +  
ITP(3-) 
iturin A 
ivosidenib 
ixabepilone 
ixazomib +   
ixazomib citrate 
ixerochinolide 
Izumiphenazine A, (rel)- 
Izumiphenazine B 
Izumiphenazine C 
jacarelhyperol A 
jaceosidin  
jadomycin B 
Jadomycin DNL 
Jadomycin DNV 
jaspamide  
jaspamide B 
jaspamide C 
jaspamide D 
jaspamide E 
jaspamide F 
jaspamide G 
jaspamide H 
jaspamide J 
jaspamide K 
jaspamide L 
jaspamide M 
jaspamide N 
jaspamide O 
jaspamide P 
jasplakinolide D 
jasplakinolide Q 
jasplakinolide R1 
JBIR-56 
JBIR-57 
JBIR-85 
jerantinine A +  
jerantinine B 
jerantinine C +  
jerantinine D 
jerantinine E 
jerantinine F 
JHU083 
jineol 
JM335 
jolkinolide A 
jolkinolide B 
Joro spider toxin-4 
josamycin  
JP-8g 
JQ1 
JTE-013  
JTE-607 dihydrochloride 
JTE-607 free base 
juglanin A 
juglanin B 
Julocrotine 
Junceellolide C, (+)-, (rel)- 
Juncin O, (rel)- 
Justiflorinol 
JWH-133 
kabiramide B 
kabiramide C 
kabiramide D 
kabiramide G 
kabiramide J 
kabiramide K 
kadlongilactone A 
kadlongilactone B 
kadsuphilactone B 
Kadsurin, (-)- 
kaempferide +   
kaempferol 3,7-di-O-alpha-L-rhamnoside 
kaempferol 3-O-(5-O-acetyl-alpha-D-apiofuranosyl)-7-O-alpha-L-rhamnopyranoside 
kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-galactopyranosyl]-7-O-alpha-L-rhamnopyranoside 
kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside 
kaempferol 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside 
kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside 
kaempferol 3-O-beta-D-allopyranoside 
kaempferol 3-O-beta-D-apiofuranosyl-7-O-alpha-L-rhamnopyranoside 
kaempferol 3-O-beta-D-galactopyranosyl-7-O-alpha-L-rhamnopyranoside 
kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside 
kaempferol 3-O-beta-D-xyloside 
kaempferol 3-O-beta-L-glucopyranoside 
kaempferol 3-O-glucuronide 
kaempferol 5-O-beta-L-glucopyranoside 
kaempferol 5-O-glucuronide 
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside) 
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside) 
kaempferol 7-O-beta-D-galactopyranoside 
kaempferol 7-O-beta-D-glucopyranoside 
kaempferol 7-O-glucuronide 
kaempferol-3-rutinoside 
kahweol  
kamebacetal A 
kampanol A 
kansuiphorin A 
kansuiphorin B 
karalicin 
Katimborine 
Katsumain C 
kavapyrone 
kempopeptin A 
kempopeptin B 
keto-phenylpyruvate 
ketone body +   
Ki11502 
Kibalaurifenone 
Kibalaurifoline 
kidjoranin-3-O-alpha-diginopyranosyl-(1->4)-beta-cymaropyranoside 
kidjoranin-3-O-beta-digitoxopyranoside 
kievitone +  
kinanthraquinone 
kinetensin 
kinetensin (1-8) 
kinetensin (1-8)(2+) 
kinetensin(2+) 
kirkinine D 
kisspeptin-54 
kitastatin 1 
klugine 
knipholone +  
koaburside 
komaroviquinone 
kopsinine 
koshikamide A2 
KP1019 
KP1339 
KRIBB11 
Ku-0063794  
KU-55933 
KU-60019 
kulinone 
kweichowenol B 
kynuramine  
kynurenate 
kynurenic acid +   
kynurenine +   
L-2-amino-3-oxobutanoic acid 
L-2-aminoadipate(1-) 
L-2-aminoadipic acid +  
L-4-hydroxyglutamic semialdehyde 
L-744,832 
L-778,123 (free base) +  
L-778,123 hydrochloride 
L-adenosylselenohomocysteine 
L-alloisoleucine +  
L-allysine +  
L-alpha-amino-gamma-oxalylaminobutyric acid 
L-alpha-aminobutyric acid +  
L-arabinitol +  
L-arabinose +  
L-argininium(1+) +  
L-ascorbate +  
L-asparagine +   
L-aspartate(1-) +  
L-canaline 
L-citrulline +  
L-citrulline zwitterion +  
L-cystathionine  
L-cysteate(1-) +  
L-cysteic acid 
L-cysteine +   
L-cysteine glutathione disulfide 
L-cysteine hydrochloride +  
L-cysteine hydrochloride hydrate 
L-cysteinylglycine +  
L-cysteinylglycine zwitterion 
L-cystine +   
L-cystine anion 
L-dopa +  
L-dopa(1-) +  
L-dopachromate 
L-dopaquinone 
L-erythrulose +  
L-fucopyranose 1-phosphate +  
L-fucose +  
L-fuculose +  
L-galactonate +  
L-gamma-Glu-L-Thr 
L-gamma-Glu-L-Thr(1-) 
L-gamma-glutamyl phosphate(2-) 
L-gamma-glutamyl-L-cysteinate(1-) 
L-gamma-glutamyl-L-cysteine +   
L-glutamate(1-) +   
L-glutamic 5-semialdehyde +  
L-glutamine +   
L-glutamine zwitterion +  
L-gulonate +  
L-gulono-1,4-lactone 
L-histidine +   
L-histidinol +  
L-homoarginine  
L-homocarnosine 
L-homocitrulline +  
L-homocitrulline zwitterion 
L-homocysteine thiolactone 
L-homoserine +  
L-iditol 
L-idose +  
L-isoleucine +   
L-kynureninate 
L-kynurenine +  
L-leucine +   
L-lysine +   
L-lysine zwitterion 
L-lyxonate +  
L-methionine +   
L-o-tyrosine +  
L-ornithinate +  
L-ornithinium(2+) 
L-pipecolate 
L-pipecolic acid +  
L-prolinate +  
L-prolinium +   
L-saccharopinate(1-) 
L-saccharopine 
L-selenocysteine +   
L-serine +   
L-sorbose +  
L-thialysine +  
L-thioproline +  
L-threo-3-phenylserine 
L-threonate 
L-threonine +   
L-threonolactone 
L-thyroxine +  
L-tryptophan +   
L-tryptophanamide +  
L-valine +   
L-xylonate 
L-xylulose +  
laccaridione A 
laccaridione B 
Lachnoisoflavones A, (rac)- 
Lachnoisoflavones B 
lactate +   
lactonamycin 
lactose +   
Lagunamide A 
Lagunamide B 
lamellarin alpha 20-sulfate 
lamesticumin A 
lamesticumin D 
lamesticumin F 
lancifodilactone F 
lancifodilactone G 
lancilactone C 
Landomycin A 
Landomycin B 
Landomycin D 
Landomycin F 
Landomycin M 
Landomycin O 
Landomycin P 
Landomycin Q 
Landomycin R 
Landomycin S 
Landomycin T 
Landomycin U 
Landomycin V 
Landomycin W 
Landomycinone 
langduin A 
langduin D 
lanigerol 
lanost-8-ene-3beta,30-diol  
lanosterol +   
lanperisone 
lanperisone hydrochloride 
Lansine 
lanthanum trichloride  
lapachol  
lapatinib  
lapidilectam 
lapidilectine A, (rel)- 
lapidilectine B 
largamide D 
largamide E 
largamide F 
largamide G 
laricitrin 
Lasiodonin acetonide 
Lasiokaurin 
Lasiokaurinin 
Lasiokaurinol 
lasofoxifene  
latrunculin A  
latrunculin B  
latrunculol A 
latrunculol B 
latrunculone A 
latrunculone B 
laulimalide 
laurebiphenyl 
laurenobiolide +  
laurinterol +  
laurolistine +  
Lauroside B 
lauroyl-CoA(4-) +  
Lavaudioside A 
Lavaudioside B 
Lavaudioside C 
Lawsonicin 
laxiracemosin H 
LB42908 
LCL161  
LDC4297 
LDN-212854 
leachianone A 
leflunomide  
lehualide F 
lehualide G 
lehualide H 
lehualide I 
lejimalide A 
lejimalide B 
lenalidomide  
lentinan  
lenvatinib  
lenvatinib mesylate 
Leosibirone A 
Leosibirone B, (rel)- 
leptorumol 
lespeflorin A3 
lespeflorin B2 
lespeflorin B3 
lespeflorin B4 
lespeflorin C3 
lespeflorin D1 
lespeflorin H2 
letrozole  
Leu-Ala 
Leu-Ala-Asp 
Leu-Ala-Gly 
Leu-Ala-Ser 
Leu-Arg 
Leu-Asn 
Leu-Asn-His 
Leu-Asp 
Leu-Asp-Gln 
Leu-Asp-Gly 
Leu-Asp-Ser 
Leu-Asp-Tyr 
Leu-Cys 
Leu-enkephalin  
Leu-FMDP 
Leu-Gln-Pro 
Leu-Glu 
Leu-Gly 
Leu-Gly zwitterion 
Leu-Gly-Gly 
Leu-His 
Leu-Ile 
Leu-Leu 
Leu-Leu-Ala 
Leu-Leu-Asn 
Leu-Leu-Asp 
Leu-Leu-Gly 
Leu-Leu-Leu 
Leu-Leu-Ser 
Leu-Lys 
Leu-Met 
Leu-Phe 
Leu-Phe-Asn 
Leu-Phe-Asp 
Leu-Pro 
Leu-Pro-Tyr 
Leu-Ser 
Leu-Ser-Ser-Tyr 
Leu-Thr 
Leu-Thr-Ala 
Leu-Thr-Asp 
Leu-Thr-Gln 
Leu-Thr-Ser 
Leu-Trp 
Leu-Tyr 
Leu-Val 
Leu-Val-Asp 
Leu-Val-Gly 
Leu-Val-Ser 
Leubethanol 
leucisterol 
leucodopachrome +  
leuconoxine 
leucosesterlactone 
leucosesterterpenone 
leucospiroside A 
leufolin A 
leufolin B 
leukoaminochrome 
leukotriene A4 +   
leukotriene A4(1-) 
leukotriene B4 +   
leukotriene B4(1-) 
leukotriene C4 +   
leukotriene C4(2-) 
leukotriene D4  
leukotriene E4(1-) 
leukotriene F4 
leuprolide +   
leuprolide acetate 
levoglucosan +  
LFM-A13 
Libertellenone C 
Libertellenone E 
Libertellenone F 
lichen metabolite +   
Licoagroisoflavone 
licofelone 
licoisoflavone A +  
lificiguat 
Ligraminol A 
Ligraminol B 
Ligraminol C 
Ligraminol D 
Ligraminol E 
ligstroside 
ligupersin A 
limonene +   
limonin +   
lindechunine A 
linderadin 
linderalactone 
linifanib 
linoelaidic acid 
linoleamide  
linsitinib 
liphagal 
lipoamide +   
lipoate +  
lipoxin A4 +   
lipoxin B4 +  
lipoyl-AMP(1-) +  
lipoylprotein 
lippiolic acid 
lippiolide 
lippiolidolic acid 
liriodenine 
lissoclibadin 1 
lissoclibadin 2 
lissoclibadin 3 
lithocholate +  
lithocholic acid +   
lithocholyl-CoA 
Lithothamnin A 
litseaefoloside C 
littorachalcone 
lividomycin A 
lividomycin B +  
LL-Z1640-1 
LLP-3 
LMG-4 
lobaplatin  
locoracemoside B 
locoracemoside C 
loliolide  
lomustine  
lonafarnib  
lonazolac 
lonazolac calcium 
longicalycinin A 
Longikaurin A  
longikaurin C 
Longikaurin D 
Longikaurin E 
Longikaurin F 
longipedumin A 
longirostrerone A 
longirostrerone B 
longirostrerone C 
longirostrerone D 
lonidamine +   
Lonijaposide D 
Lonijaposide E 
Lonijaposide F 
Lonijaposide G 
Lonijaposide H 
Lonijaposide I 
Lonijaposide J 
Lonijaposide K 
Lonijaposide L 
Lonijaposide M 
Lonijaposide N 
Loniphenyruviridoside A, (rel)- 
Loniphenyruviridoside B, (rel)- 
Loniphenyruviridoside C 
Loniphenyruviridoside D 
Lonsurf 
lorlatinib  
losartan carboxylic acid  
lovastatin +   
LRRK2-IN-1 
LSM-1400 
LSM-4270 
LSM-5535 
lucanthone +   
lucialdehyde B 
lucialdehyde C 
lucidenic acid N  
Ludongnin F 
Ludongnin G 
Ludongnin H 
Ludongnin I 
lugdunin 
luminespib 
lumutinine A 
lumutinine B 
lumutinine C 
lumutinine D 
lupenone 
lupeol acetate 
lupinacidin C 
lupulin A 
lupulone  
luteolin +   
luteolin 3'-O-glucuronide 
luteolin 5-O-glucuronide 
luteolin 7-O-beta-D-glucosiduronic acid 
luteolin 7-O-neohesperidoside 
luteone +  
luzonial A 
luzonial B 
luzonidial B 
LY-2090314 
LY-2157299  
LY3009120 
lychnostatin 1 
lychnostatin 2 
lyciumoside IV +  
lycojapodine A 
lycoperine A 
Lyngbic acid 
lyratol C 
lyratol D 
Lys-Arg 
Lys-Asp 
Lys-Asp-Tyr 
Lys-Gln 
Lys-Glu 
Lys-Gly 
Lys-Ile 
Lys-Leu 
Lys-Met 
Lys-Met-Met-Met 
Lys-Phe 
Lys-Pro 
Lys-Ser 
Lys-Thr 
Lys-Thr-Pro-Pro 
Lys-Thr-Trp-Tyr 
Lys-Trp 
Lys-Tyr 
Lys-Val 
Lysicamine 
lysikokianoside 1 
lysophosphatidic acid 0:0/18:2(9Z,12Z) 
lysophosphatidylcholine +   
lysophosphatidylcholine (P-16:0/0:0) +  
lysophosphatidylcholine 14:1 +  
lysophosphatidylcholine 14:2 
lysophosphatidylcholine 15:0 +  
lysophosphatidylcholine 16:0 +  
lysophosphatidylcholine 16:2 
lysophosphatidylcholine 17:1 +  
lysophosphatidylcholine 20:0 +  
lysophosphatidylcholine 20:1 +  
lysophosphatidylcholine 20:2 +  
lysophosphatidylcholine 20:3/0:0 +  
lysophosphatidylcholine 20:5 +  
lysophosphatidylcholine 22:0 
lysophosphatidylcholine 22:1 +  
lysophosphatidylcholine 22:2 +  
lysophosphatidylcholine 22:4 +  
lysophosphatidylcholine 22:5 +  
lysophosphatidylcholine 22:6 +  
lysophosphatidylcholine O-16:0 +  
lysophosphatidylcholine O-16:0/0:0 +  
lysophosphatidylcholine O-16:1 +  
lysophosphatidylcholine O-18:1 +  
lysophosphatidylcholine(0:0/16:0) +  
lysophosphatidylcholine(0:0/16:1) +  
lysophosphatidylcholine(0:0/18:0) +  
lysophosphatidylcholine(0:0/18:2) +  
lysophosphatidylcholine(0:0/20:4) +  
lysophosphatidylcholine(0:0/20:5) 
lysophosphatidylcholine(16:1/0:0) +  
lysophosphatidylcholine(18:0/0:0) 
lysophosphatidylcholine(18:2/0:0) +  
lysophosphatidylcholine(20:4/0:0) +  
lysophosphatidylethanolamine (0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 
lysophosphatidylethanolamine (20:4(8Z,11Z,14Z,17Z)/0:0) 
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 
lysophosphatidylethanolamine 0:0/20:4(8Z,11Z,14Z,17Z) 
lysophosphatidylethanolamine 16:0 +  
lysophosphatidylethanolamine 17:0 +  
lysophosphatidylethanolamine 17:1 
lysophosphatidylethanolamine 18:0 +  
lysophosphatidylethanolamine 18:1 +  
lysophosphatidylethanolamine 18:2 +  
lysophosphatidylethanolamine 18:4 
lysophosphatidylethanolamine 20:1 +  
lysophosphatidylethanolamine 20:2 +  
lysophosphatidylethanolamine 20:3 +  
lysophosphatidylethanolamine 20:4 +  
lysophosphatidylethanolamine 22:6 +  
m-hydroxyhippuric acid 
m-methylhippuric acid 
m-tyraminium 
M3 
maackiaflavanone A 
maackiaflavanone B 
maackiapterocarpan A 
macabarterin 
macaflavanone G 
macaranone A 
macluraxanthone B 
macluraxanthone C 
Macrocalin B 
Macrophylline A 
Macrophylline B 
Macrophyllionium 
maculosin  
magnocurarine trifluoroacetate, rac- 
magnoshinin 
Majonoside-R1 
majusculamide A 
Majusculamide A/B 
majusculamide B 
Maklamicin, (rel)- 
Malabaricone C  
mallotophilippen A 
mallotophilippen B 
mallotophilippen C 
mallotophilippen D 
malonate(2-) +  
malonic acid +   
malonyl-CoA  
malonyl-CoA(5-) 
maltitol 
maltose +   
malvidin +   
malvidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) 
malvidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside) 
malvidin 3-O-(6-O-acetyl-beta-D-glucoside) 
malvidin 3-O-beta-D-glucoside  
malvin  
Malyngamide 2 
Malyngamide 3 
malyngamide A 
malyngamide B 
Mammea A/AA 
Mammea A/AB, (-)- 
Mammea A/BA 
Mammea A/BB, (-)- 
Mammea B/AB, (-)- 
Mammea B/BA 
Mammea B/BB, (-)- 
Mammea C/AA 
Mammea C/AB, (-)- 
Mammea C/BB, (-)- 
Mammea E/BB 
Mammea F/BA, (-)- 
Mammea F/BB, (-)- 
manassantin A 
manassantin B 
mannarate(2-) +  
mannaric acid +  
mannioside A 
mannitol +   
manoalide  
manool 
manumycin A  
manzamine A +  
maoecrystal J 
Maoecrystal M 
maoecrystal R 
maoecrystal Z 
Maoesin A, (rel)- 
Maoesin B, (rel)- 
Maoesin C 
Maoesin D 
Maoesin E, (rel)- 
Maoesin F 
Marianin A 
Marianin B 
marianine 
Marilzallene, (rel)- 
marimastat  
Marinacarboline A 
Marinacarboline C 
Marinacarboline D 
marine metabolite +   
marineosin A 
marineosin B 
Marinoquinoline C 
Marinoquinoline D 
Marinoquinoline E 
Marinoquinoline F 
maritinamine Trifluoroacetic acid 
marsupsin 
martefragin A 
masitinib  
maslinic acid +   
masoprocol  
matsudone A 
mauritine A 
Mauritine A N-oxide 
mauritine F 
maytansine +  
Mayteine 
maytenfolone A 
MCB-613 
mechlorethamine hydrochloride 
meclofenamic acid  
mediomycin A 
mediomycin B 
medroxyprogesterone acetate  
mefuparib 
mefuparib hydrochloride 
megathyrin A 
megestrol +   
megestrol acetate  
mekongensine 
melannein 
Melanoxin, (-)- 
melanoxoin 
melatonin +   
melemeleone B 
Meliasenin I, (rel)- 
Meliasenin J, rel- 
Meliasenin K 
Meliasenin L, (rel)- 
Meliasenin M, (rel)- 
Meliasenin N 
Meliasenin O 
Meliasenin P, (rel)- 
Meliasenin Q 
meliastatin 3 
meliastatin 5 
melinacidin IV 
melittin  
melophlin P 
melophlin Q 
melophlin R 
melophlin S 
melphalan  
menadione +   
menaquinone-4 +   
menaquinone-8 
mercaptopurine +   
meroterpenoid +   
mersacidin 
mertansine 
Merulin A, (rel)- 
Merulin B, (rel)- 
Merulin C, (rel)- 
Merulin D 
mesaconate(2-) 
mesaconic acid +  
mesaconyl-CoA 
meso-2,6-diaminopimelic acid +  
meso-2,6-diaminopimelic acid dizwitterion 
meso-butane-2,3-diol 
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) +   
mesylmethyl(benzyl)sulfone 
Met-Ala 
Met-Ala-Asp 
Met-Arg 
Met-Asp 
Met-enkephalin 
Met-FMDP 
Met-Gln 
Met-Glu 
Met-Gly 
Met-His 
Met-Ile 
Met-Leu 
Met-Lys 
Met-Phe 
Met-Pro 
Met-Ser 
Met-Thr 
Met-Trp 
Met-Tyr 
Met-Val 
metachromin S 
metachromin T 
Metachromin U 
Metachromin V 
Metachromin W 
Metaseglyptorin A 
Metasequirin D 
Metasequirin E 
Metasequirin F 
Metasequoic acid C, (rel)- 
methacrylyl-CoA  
methanethiol +   
methanol +   
methionine S-oxide +  
metholone +  
methotrexate  
methoxide 
methoxsalen +   
methoxyacetic acid  
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate 
methyl (indol-3-yl)acetate 
methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate 
methyl 2-diazoacetamidohexonate 
methyl 2-hydroxypropionate +  
methyl 3,4-dihydroxy-5-(3'-methyl-2'-butenyl)benzoate 
methyl 3,5-di-O-caffeoyl quinate 
methyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate 
methyl 3-hydroxypiperidine-1-carboxylate 
methyl 3-phenylpropanoate 
methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid 
methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate 
methyl 4-hydroxypiperidine-2-carboxylate 
methyl 4-hydroxypiperidine-3-carboxylate 
methyl 4alpha-methylergost-8,24(28)-diene-3,11-dion-26-oate 
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate 
methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate 
methyl 5-aminolevulinate +  
methyl 5-aminolevulinate hydrochloride 
methyl 5-hydroxypiperidine-2-carboxylate 
methyl aignopsanoate 
methyl antcinate H 
methyl anthranilate 
methyl benzoate 
methyl brevifolincarboxylate 
methyl cyclohexanecarboxylate 
methyl foveolate A 
methyl gamma-linolenate 
methyl glycinate 
methyl hippurate 
methyl icosapentaenoate 
methyl indole-3-carboxylate 
methyl isobutyrate 
methyl kulonate 
methyl laurate  
methyl N-acetylvalinate 
methyl octanoate +  
Methyl palmitate  
methyl phenylglyoxalate 
methyl salicylate  
Methyl stearate 
methyl tert-butyl ether  
methyl tumonoate A 
methyl tumonoate B 
methyl undecanoate 
methyl undecenate 
Methyl violet 2B 
Methyl violet 2B free base 
methylammonium +  
methylcarbamoylcarbamate 
methylcobalamin  
methylcyclohexane 
methylcyclopentane 
methylene group 
methylglyoxal +   
methylguanidine 
methylmalonate(1-) 
methylmalonate(2-) 
methylmalonic acid +   
methylmalonyl-CoA +  
Methylpendolmycin 
Methylpendolmycin-14-O-alpha-glucoside 
methylselenenic acid 
methylseleninic acid  
methylselenol 
methylstat 
methylsuccinic acid 
methyltestosterone  
miboplatin 
michaolide A 
michaolide B 
michaolide C 
michaolide D 
michaolide E 
michaolide F 
michaolide G 
michaolide H 
michaolide I 
michaolide J 
michaolide K 
michellamine A 
michellamine B 
miconazole +   
miconazole nitrate 
microclavatin 
microdiplactone 
microdiplodiasol 
microspinosamide 
midazolam +   
midazolam hydrochloride 
midostaurin  
migrastatin 
militarinone A 
militarinone B 
Militarinone E, (rel)- 
Militarinone F, (rel)- 
millewanin H 
miltefosine  
mimosifolenone 
minabeolide 1 
minecoside 
Minfiensine-N(4)-oxide 
minheryin G 
minquartynoic acid 
miquelianin  
Mirabamide C 
Mirabamide E 
Mirabamide F 
Mirabamide G 
Mirabamide H 
mithramycin  
mitoguazone 
mitoguazone hydrochloride +  
mitoguazone hydrochloride hydrate 
mitomycin A 
mitomycin B 
mitomycin C +   
mitoxantrone +   
mitoxantrone dihydrochloride 
MK-2206  
MK-2461 
MK-8353 
ML-210 
ML240 
MMP-9-IN-1 
mocetinostat  
mogrol +  
molibresib  
mollicellin B 
mollicellin C 
mollicellin E 
mollicellin F 
mollicellin H 
mollicellin J 
mollicellin K 
mollicellin L 
mollicellin M 
mollicellin N 
momelotinib 
Monanchocidin A, rel- 
Monanchocidin B, rel- 
Monanchocidin C, rel- 
Monanchocidin D, rel- 
Monanchocidin E, rel- 
monascin  
monascorubrin 
monastrol 
mono(glucosyluronic acid)bilirubin(2-) 
monoacylglycerol 14:0 +  
monoacylglycerol 16:0 +   
monoacylglycerol 16:1 +  
monoacylglycerol 18:0 +  
monoacylglycerol 18:1 +   
monoacylglycerol 18:2 +  
monoacylglycerol 18:3 +  
monoacylglycerol 20:5 +  
Monocerin 
monocillin I 
monodehydro-L-ascorbate(1-) 
monodictyochromone A 
monodictyochromone B 
monodictyphenone 
monodictysin B 
monodictysin C 
monoethyl phthalate  
monomethyl adipate 
monotesone A 
monotropein  
morellic acid +  
morellin +  
morin  
moromycin A 
moromycin B 
moronic acid 
morusin  
motixafortide +  
motixafortide acetate 
motualevic acid A 
motualevic acid F 
MP-A08 
MST-312  
MT-2153 +  
MTIC 
mucronulatol 
multicaulin 
multifidol +  
multifidol glucoside 
multiorthoquinone 
multiplolide A 
multiplolide B 
muqubilone 
murideoxycholate 
murideoxycholic acid 
Murrayanine 
mustakone 
mycocyclosin 
mycophenolic acid +   
mycothiazole 
myo-inositol +   
myo-inositol 1,3,4,5,6-pentakisphosphate(10-) 
myo-inositol 1,3,4,6-tetrakisphosphate(8-) 
myo-inositol 1,3-bisphosphate 
myo-inositol hexakisphosphate  
myo-inositol hexakisphosphate(12-) 
myrciacitrin I 
myrciacitrin III 
myrciacitrin IV 
myriaporone 3 
Myricanone 
myricetin +   
myricetin 3'-O-alpha-D-glucopyranoside 
myricetin 3'-O-beta-D-glucopyranoside 
myricetin 3-O-alpha-D-glucopyranoside 
myricetin 3-O-alpha-L-glucopyranoside 
myricetin 3-O-beta-D-galactopyranoside 
myricetin 3-O-beta-L-galactopyranoside 
myricetin 3-O-glucuronide 
myricetin 4'-O-alpha-D-glucopyranoside 
myricetin 5-O-glucuronide 
myricetin 7-O-beta-D-glucopyranoside 
myricetin 7-O-glucuronide 
myricitrin-5-methyl ether 
myriocin  
myristamide 
myristicin  
myristoyl-[acyl-carrier protein] 
myristoyl-CoA(4-) +  
Myrocin A 
Myrocin D 
myrothenone A 
myrsinoic acid A 
myrsinoic acid B  
myrsinoic acid C 
myrsinoic acid F 
N'-acetylisoniazid  
N(1),N(12)-diacetylsperminium(2+) 
N(1),N(12)-diethylspermine  
N(1)-(5-phospho-D-ribosyl)glycinamide(1-) +  
N(1)-acetylspermidine 
N(1)-acetylspermidinium(2+) 
N(1)-acetylspermine 
N(1)-acetylsperminium(3+) 
N(1)-isopropyl-2-methylpropan-1,2-diamine 
N(2),N(2)-dimethylguanosine 
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide 
N(2)-acetyl-L-lysine 
N(2)-acetyl-L-lysine zwitterion 
N(2)-acetyl-L-ornithine 
N(2)-acetyl-L-ornithine zwitterion 
N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide(2-) +  
N(2)-methylguanine 
N(2)-methylguanosine 
N(2)-phenylacetyl-L-glutaminate 
N(2)-phenylacetyl-L-glutamine 
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid 
N(4)-\{N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->6)]-N-acetyl-beta-D-glucosaminyl\}-L-asparagine 
N(4)-acetylcytidine +  
N(4)-demethyl-12-methoxyalstogustine 
N(4)-demethylechitamine 
N(4)-methylcytosine 
N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine +  
N(6),N(6),N(6)-trimethyl-L-lysine +  
N(6)-(1,2-dicarboxylatoethyl)-AMP(4-) 
N(6)-(Delta(2)-isopentenyl)adenosine +  
N(6)-acetyl-L-lysine +  
N(8)-acetylspermidine 
N(8)-acetylspermidinium(2+) 
N(alpha)-acetyl-L-arginine +   
N(pros)-methyl-L-histidine +  
N(tele)-methyl-L-histidine +  
N(tele)-methylhistamine  
N(tele)-methylhistaminium 
N,N'-diacetylchitobiose +  
N,N'-diacetylchitobiosyldiphosphodolichol 
N,N'-Methyleno-didemnin A 
N,N-dimethylacetamide  
N,N-dimethylethanolamine phosphate 
N,N-dimethylglycine  
N,N-dimethylsphingosine  
N,O-dimethyltyramine +   
N-(11Z,14Z)-eicosadienoylethanolamine 
N-(15Z-tetracosenoyl)ethanolamine 
N-(2-[(2-aminoethyl)(methyl)amino]-5-\{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino\}phenyl)acetamide 
N-(2-furoyl)glycinate 
N-(2-furoyl)glycine 
N-(2-methoxyethyl)-4-\{[6-(pyridin-4-yl)quinazolin-2-yl]amino\}benzamide 
N-(2-methylbutanoyl)glycine 
N-(3-aminopropyl)-N-hydroxyacetamide 
N-(4-coumaroyl)-L-homoserine lactone 
N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)piperidine-4-carboxamide 
N-(ethoxycarbonyl)-4-hydroxyproline 
N-(methoxyacetyl)-4-hydroxyproline 
N-(octadecanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 
N-[(11Z)-octadecenoyl]-sphingosine-1-phosphocholine 
N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonate 
N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine 
N-[(9Z)-hexadecenoyl]glycine 
N-[(E)-2-(4-Hydroxyphenyl)ethenyl]-3-methylbutanamide 
N-[(E)-4-ammoniobutylidene]propane-1,3-diaminium 
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-) 
N-[(R)-pantothenoyl]-L-cysteinate 
N-[(S)-lactoyl]-L-phenylalanine 
N-[2-(4-Hydroxyphenyl)-2-oxoethyl]-3-methylbutanamide 
N-[2-(4-Hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide 
N-[2-(4-Hydroxyphenyl)-2-oxoethyl]acetamide 
N-[2-(4-Hydroxyphenyl)-2-oxoethyl]butanamide 
N-[2-(4-Hydroxyphenyl)-2-oxoethyl]hexanamide 
N-\{4-[(3-bromophenyl)amino]quinazolin-6-yl\}but-2-ynamide 
N-acetyl-alpha-D-glucosamine 1-phosphate 
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose +  
N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide +  
N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(d18:1(4E)) +  
N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosaminyl group +  
N-acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-D-galactosaminyl group 
N-acetyl-D-galactosamine +  
N-acetyl-D-galactosamine 1-phosphate +  
N-acetyl-D-glucosamine 6-phosphate +  
N-acetyl-D-glucosamine 6-phosphate(2-) +  
N-acetyl-D-glucosaminyldiphosphodolichol 
N-acetyl-D-mannosamine 6-phosphate(2-) 
N-acetyl-L-2-aminoadipate(2-) 
N-acetyl-L-2-aminoadipic acid 
N-acetyl-L-alanine +  
N-acetyl-L-aspartate(2-) +  
N-acetyl-L-aspartic acid +   
N-acetyl-L-cysteinate +  
N-acetyl-L-cysteine +   
N-acetyl-L-gamma-glutamyl phosphate(3-) 
N-acetyl-L-glutamate(2-) +  
N-acetyl-L-glutamic acid 
N-acetyl-L-glutamine 
N-acetyl-L-isoleucinate 
N-acetyl-L-leucine +  
N-acetyl-L-phenylalanine +  
N-acetyl-L-serine +  
N-acetyl-L-tryptophan  
N-acetylcadaverine 
N-acetylcarnosine 
N-acetylcysteamine  
N-acetylethanolamine 
N-acetylgitingensine 
N-acetylglycinate +   
N-acetylglycine +  
N-acetylhistamine 
N-acetylisoleucine +  
N-acetylneuraminate +  
N-acetylneuraminic acid +   
N-acetylneuraminic acid 9-phosphate 
N-acetylneuraminlactose sulfate 
N-acetylphenylalanine +  
N-acetylputrescine 
N-acetylputrescinium 
N-acetylserotonin  
N-acetyltryptophan 
N-acetyltryptophanate 
N-acyl-beta-D-galactosylsphingosine +  
N-acylsphinganine +   
N-acylsphingosine +   
N-acylsphingosine 1-phosphate(2-) +  
N-arachidonoyl-2-oxoserotonin 
N-arachidonoylglycinate 
N-arachidonoylserotonin 
N-benzoyl-L-alanine  
N-benzoylalanine +   
N-benzoylglycinate 
n-butyl oleate 
N-butylformamide 
N-carbamoyl-beta-alaninate 
N-carbamoyl-beta-alanine 
N-carbamoyl-L-aspartate(2-) 
N-carbamoyl-L-aspartic acid 
N-carbamoylaspartic acid +  
N-carbamoylglutamic acid 
N-cinnamoylglycinate 
N-cinnamoylglycine 
N-decanoylglycine 
N-desmethylclozapine  
N-desmethylenzalutamide 
N-diazoacetylnorleucine methyl ester 
N-docosanoyltaurine 
N-docosatrienoylsphingosine-1-phosphocholine 
N-dodecanoylglycine 
N-dodecanoylsphingosine 1-phosphate 
N-ethyl-5'-carboxamidoadenosine  
N-ethylacetamide 
N-feruloyltyramine  
N-formimidoyl-L-glutamate(2-) +  
N-formyl-L-kynurenine +  
N-formyl-L-methionine +   
N-formylanthranilate 
N-glycoloylneuraminate +  
N-gondoylethanolamine 
N-heptanoylglycine 
N-hexacosahexaenoylsphingosine 
N-hexadecanoylglycine +  
N-hexadecanoylsphinganine-1-phosphocholine 
N-hexanoylglycinate 
N-hexanoylglycine 
N-hydroxydocosadienoylsphingosine-1-phosphocholine +  
N-hydroxydocosenoylsphingosine-1-phosphocholine +  
N-hydroxyguanidine 
N-hydroxyhexadecanoylsphingosine-1-phosphocholine 
N-hydroxyhexadecenoylsphingosine-1-phosphocholine +  
N-hydroxytetracosenoylsphingosine-1-phosphocholine +  
N-hydroxytetradecenoylsphingosine-1-phosphocholine +  
N-icosadienoylsphingosine-1-phosphocholine 
N-isovaleryl-L-homoserine lactone 
N-methyl-6-pyridone-3-carboxamide +   
N-methylacetamide 
N-methylbutan-2-amine 
N-methylcorydaldine 
N-methylethanolaminium phosphate(1-) 
N-methylfluvirucin A1 
N-methylgitingensine 
N-Methylnarceimicine 
N-methylnicotinamide  
N-methylnorsalsolinol 
N-methylphenylethanolamine 
N-methylphenylethanolaminium 
N-methylproline 
N-methylproline zwitterion 
N-methylputrescinium(2+) 
N-methylserotonin 
N-methyltryptamine 
N-methyltyraminium 
N-nonanoylglycine 
N-octadecanoylglycine 
N-octanoylglycine 
N-oleoylglycine 
N-oleoyltaurine 
N-palmitoyl-S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys  
N-phosphocreatinate(2-) 
N-phosphocreatine  
N-propylbenzamide 
N-ribosylnicotinamide  
N-trans-feruloyl-3-methoxytyramine +  
N-trans-sinapoyltyramine 
N-tridecanoylglycine 
N-undecanoylglycine 
N-undecylundecan-1-amine 
N-vinylacetylglycine 
NAD(1-) +  
NADH(2-) +  
NADP(3-) 
NADPH(4-) +  
nagilactone F 
Nakijinol B 
nalanthalide 
nandrolone +   
nantenine 
naphthazarin  
narbonolide +  
Narciclasine  
nardoperoxide 
naringenin 7-O-beta-D-glucoside 
naringin  
narirutin 
nataloe-emodin +  
navitoclax  
Nbeta-acetylstreptothricin D 
Nbeta-acetylstreptothricin E 
nelarabine 
nelfinavir  
nelfinavir mesylate 
neo-isopulegol, rel- 
neobavaisoflavone +   
neocarzinostatin chromophore 
neocasomorphin 
neoechinulin A  
neohesperidin 
neopentalenolactone D 
neopyrrolomycin B 
neotuberostemonine 
nepalensinol D 
nepalensinol E 
nepalensinol F 
neratinib  
nerolidol glycoside 
Nervosanin A 
neurolenin A 
neurolenin B 
neurolenin C 
neurolenin D 
Neurosporaside 
Neurosporaside peracetate 
neurotensin  
neurotensin (1-12) 
neurotensin (1-12)(1+) 
neurotensin (1-7) 
neurotensin (1-8) 
neurotensin(1+) 
nicotianoside I 
nicotianoside II 
nicotinamide +   
nicotinate +   
nicotinate D-ribonucleotide(2-) 
nicotinic acid +   
nicotinic acid-adenine dinucleotide phosphate  
nidulalin A 
nifedipine  
nigerapyrone B 
nigerapyrone D 
nigerapyrone E 
nigerapyrone H 
nigranoic acid 
nigrasin C 
nigrasin E 
nigrasin I 
nilotinib  
nilutamide  
nimustine  
nimustine hydrochloride 
ninhydrin  
nintedanib  
nintedanib esylate 
nipponogenin E 
niraparib  
nirogacestat  
nirogacestat dihydrobromide 
niruriside 
nisin  
nitensidine E 
nitric oxide  
nitrite +   
Nitropyrrolin A 
Nitropyrrolin B 
Nitropyrrolin C 
Nitropyrrolin D 
Nitropyrrolin E 
nitrososulfamethoxazole  
nitrosulindac 
nitrotyrosine +   
NK154183A 
NK154183B 
NK372135A 
NK372135B 
NMN(-) 
NMNH 
NNC 55-0396 (free base) +  
NNC 55-0396 dihydrochloride 
nobiletin  
Nobilisitine A 
Nocapyrone E 
Nocapyrone F 
Nocapyrone G 
nocardione A 
Nocazine A 
Nocazine B 
Nocazine C 
Nocazoline A 
nociceptin  
nocodazole  
Nodosin  
nogalamycin 
nomilin  
nonanal +   
nonanedioic acid +   
nonyl acetate 
nor-6,7-secoangustilobine A, (rel)- 
Nor-dentatin 
norathyriol +   
Norcaesalpinin A 
Norcaesalpinin B 
norcaesalpinin D 
norcaesalpinin E 
nordazepam  
Nordidemnin B 
norgalanthamine Trifluoroacetic acid 
norlaudanosoline +   
norpinguisone 
norpinguisone acetate 
norpinguisone methyl ester 
norsalsolinol +  
norswertianolin  
nortriptyline  
norwogonin  
nostocarboline 
novobiocic acid 
novolactone 
NP-101A 
NS-398  
numidargistat 
Nutlin +   
nymphaeol A 
nymphaeol B 
nymphaeol C 
O(4')-sulfo-L-tyrosinate(1-) 
O(4')-sulfo-L-tyrosine 
O(4)-methylthymine 
O-(11-carboxyundecanoyl)carnitine 
O-(13-carboxytridecanoyl)carnitine 
O-(15-carboxypentadecanoyl)carnitine +  
O-(17-carboxyheptadecanoyl)carnitine 
O-(2-aminoethyl)-L-serine 
O-(2-tetradecenoyl)carnitine 
O-(3-hydroxyvaleryl)-L-carnitine 
O-(chloroacetylcarbamoyl)fumagillol  
O-(dimethylnonenoyl)carnitine 
O-(hydroxyhexadecadienoyl)carnitine +  
O-(hydroxyhexadecanoyl)carnitine +  
O-(hydroxyhexadecenoyl)carnitine +  
O-(hydroxyoctadecenoyl)carnitine 
O-(hydroxypropionyl)carnitine 
O-(hydroxytetradecadienoyl)carnitine +  
O-(hydroxytetradecenoyl)carnitine +  
O-(hydroxyvaleryl)carnitine 
O-3-methylglutarylcarnitine +  
O-[(5Z)-tetradecenoyl]-L-carnitine 
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine 
O-acetyl-L-carnitine  
O-acetylcarnitine +   
O-acryloyl-L-carnitine 
O-adipoylcarnitine +  
O-arachidonoylcarnitine 
O-behenoylcarnitine 
O-butanoyl-L-carnitine +   
O-butanoylcarnitine +   
O-butenoyl-L-carnitine +  
O-butenoylcarnitine +  
O-decadienoyl-L-carnitine 
O-decadienoylcarnitine +  
O-decanoyl-L-carnitine +  
O-decenoyl-L-carnitine 
O-decenoylcarnitine +  
O-demethylbuchenavianine 
O-Demethylmurrayanine 
O-dodecadienoyl-L-carnitine 
O-dodecanedioylcarnitine 
O-dodecanoylcarnitine +  
O-dodecenoyl-L-carnitine 
O-dodecenoylcarnitine +  
O-fumaryl-L-carnitine 
O-glutaconylcarnitine +  
O-glutaroyl-L-carnitine +  
O-glutarylcarnitine 
O-heptadecanoylcarnitine 
O-heptanoylcarnitine 
O-hexadecadienoyl-L-carnitine 
O-hexadecadienoylcarnitine +  
O-hexadecenoyl-L-carnitine +  
O-hexadecenoylcarnitine +  
O-hexanoyl-L-carnitine +  
O-hexanoylcarnitine +  
O-hexenoylcarnitine +  
O-hydroxybutyryl-L-carnitine +  
O-hydroxyhexadecadienoyl-L-carnitine 
O-hydroxyhexanoyl-L-carnitine 
O-hydroxyoctadecenoyl-L-carnitine 
O-hydroxypropionyl-L-carnitine 
O-hydroxytetradecenoyl-L-carnitine 
O-hydroxyvaleroyl-L-carnitine 
O-icosanoylcarnitine 
O-isobutyryl-L-carnitine 
O-isobutyrylcarnitine +  
O-isovalerylcarnitine +  
O-linoleoylcarnitine 
O-linoleyl-L-carnitine 
O-malonyl-L-carnitine 
O-malonylcarnitine 
O-methyl-sterigmatocystin 
O-methylglutarylcarnitine +  
o-methylhippuric acid 
O-methylmalonyl-L-carnitine 
O-methylmalonylcarnitine 
O-methylserine 
O-nonanoylcarnitine +  
O-octadecadienoyl-L-carnitine +  
O-octadecadienoylcarnitine +  
O-octadecanoyl-L-carnitine 
O-octadecenoyl-L-carnitine 
O-octadecenoylcarnitine +  
O-octanoyl-L-carnitine +  
O-octanoylcarnitine +   
O-octenoylcarnitine 
O-oleoylcarnitine 
o-orsellinic acid +  
O-palmitoleoylcarnitine 
O-palmitoyl-L-carnitine 
O-palmitoylcarnitine +   
O-phospho-L-serine +  
O-phosphoethanolamine +  
O-phosphonato-L-homoserine(2-) 
O-phosphonato-L-serine(2-) +  
O-phosphonatoethanaminium(1-) 
O-phosphonatooxy-D-serine(2-) 
O-phosphoserine +   
O-pimeloylcarnitine 
O-pimelylcarnitine +  
O-pivaloylcarnitine 
O-propanoylcarnitine +   
O-propenoylcarnitine +  
O-sebacoylcarnitine 
O-stearoylcarnitine 
O-suberoylcarnitine 
O-succinylcarnitine 
O-tetradecadienoylcarnitine +  
O-tetradecanoyl-L-carnitine +  
O-tetradecanoylcarnitine +  
O-tetradecenoylcarnitine +  
O-tiglylcarnitine +  
o-tyrosine 
O-undecenoylcarnitine 
O-ureido-D-serine 
O-ureido-L-serine 
O-valeroylcarnitine +  
O10-natafuranamine 
O2-natafuranamine 
obochalcolactone 
obolactone 
Obovatin 
obtusafuran 
Obtusallene X, (rel)- 
obyanamide 
oceanalin A 
ochrocarpin A 
ochrocarpin B 
ochrocarpin C 
ochrocarpin D 
ochrocarpin E 
ochrocarpin F 
ochrocarpin G 
ochrocarpinone A 
ochrocarpinone B 
ochrocarpinone C 
octadecadienal 
octadecadienoate +  
octadecan-1-ol +   
octadecanamide 
octadecanoate +  
octadecanoic acid +   
octan-1-amine 
octan-3-ol 
octanoate +  
octanoic acid +   
octanoyl-[acyl-carrier protein] 
octanoyl-beta-D-glucuronide 
octanoyl-CoA(4-) +  
octenoyl-L-carnitine +  
octyl formate 
Officinoic acid A 
Officinoic acid B 
ohchinin acetate 
olaparib  
oleamide  
oleandrigenin +   
Oleanolic acid 28-O-beta-D-glucopyranoside 
oleanolic acid 3-O-[O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside] 
oleocanthal 
oleoyl danshenxinkun A 
oleoyl neocryptotanshinone 
oleoyl-CoA(4-) 
oleuropein +   
oleuropein (aldehyde form) 
oligomycin A  
oligomycin D 
olivetolic acid +   
olivin 
oltipraz  
omacetaxine mepesuccinate  
omaveloxolone  
omega-3 fatty acid +   
omega-hydroxymenaquinone-4 
omeprazole +   
omipalisib  
Omubioside 
onalespib 
oncrasin-1  
onosmin B 
opacaline A 
opacaline B 
opacaline C 
Operculinic acid C 
Operculinoside A 
Operculinoside B 
Operculinoside C 
Operculinoside D 
ophiobolin C 
ophioglonin 7-O-beta-D-glucopyranoside 
ophioglonol 4'-O-beta-D-glucopyranoside 
Ophthalmate 
ophthalmic acid 
oppsit-4(15)-ene-1beta,11-diol +  
orantinib  
orbiculin A 
orbiculin D 
orbiculin E 
orbiculin F 
orbiculin G +  
orbiculin H 
orbiculin I 
oriciacridone C 
oriciacridone F 
oridonin  
orientin +   
orinapterin 
ormaplatin 
ornithine +   
ornithinium(1+) +  
Oroidine 
orotate +  
orotic acid +   
orotidine 5'-phosphate 
orotidine 5'-phosphate(3-) 
oroxylin A +   
oroxylin A(1-) 
orsellinic acid methyl ester 
orteronel 
oryzafuran 
osimertinib  
osimertinib mesylate 
ospemifene  
ossamycin 
osthole  
Ostruthin 
ostruthol 
OSU-03012  
oviedomycin 
oxalate(1-) +  
oxalate(2-) +   
oxalic acid +   
oxaline 
oxaliplatin +   
oxaloacetate(2-) 
oxaloacetic acid +   
oxazolidin-2-one +  
oxidopamine  
oxo-taxadiene-4alpha,9alpha-diol 
oxo-taxadiene-4alpha-ol 
OxoEDE +  
oxooctadecadienoic acid +   
oxygenated xanthohumol 
oxypeucedanin hydrate 
oxypeucedanin hydrate acetonide 
oxyphenbutazone +   
oxyphenbutazone hydrate 
oxyprotostemonine 
oxystemokerrine 
Oxystemokerrine N-oxide 
P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) 
p-coumaroylputrescine 
p-cresol +   
p-cresol sulfate 
p-cresol sulfate(1-) 
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe 
p-menthan-1-ol 
p-methoxyphenol 
p-methylhippuric acid 
p-Ts-L-Lys-Me 
PABA/NO 
Pacificin C(rel) 
Pacificin H(rel) 
Pacificin K(rel) 
Pacificin L(rel) 
paclitaxel +   
A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark.
pacritinib 
pacritinib citrate 
Paecilocin A 
Paecilocin B, (rel)- 
Paecilocin C, (rel)- 
Paecilocin D 
Paecilomycin F 
Paecilopeptin 
Paeonenoide A 
Paeonenoide C 
Paeonilide 
Paeonin A 
Paeonin B 
Paeonol  
paeonoside decaacetate 
palau'amide 
Palbinone  
palbociclib  
palmitoleamide 
palmitoleate +  
palmitoleoyl-CoA(4-) +  
palmitoyl-[acyl-carrier protein] 
palmitoyl-CoA(4-) 
palmityl palmitate 
Palmyrrolinone 
Panajaponol A, (rel)- 
Panaxjapyne A 
Panaxjapyne B 
Panaxjapyne C 
Panaxynol  
pandangolide 1 
pandangolide 1a 
Panduratin A  
Panicutine 
pannarin 
panobinostat  
panobinostat lactate 
pantetheine 
pantetheine 4'-phosphate(2-) +  
papuamide B 
papulacandin A 
papulacandin B 
papulacandin C 
papulacandin D 
papyriflavonol A 
parabanic acid +  
paraminabeolide A 
Paravallarine 
parbendazole  
parkeol 
pasireotide  
pasireotide aspartate 
pateamine 
patuletin 
pazopanib  
pazopanib hydrochloride 
PB28 
PC(O-16:1/0:0) 
PD 0325901  
PD-166866 +   
PD158780 
PD173074  
pectolinarin 
pedalitin  
pederin 
pedunculosumoside B 
pedunculosumoside E 
pedunculosumoside F 
pedunculosumoside G 
pelabresib 
Pelagiomicin A 
pelargonidin 3-O-beta-D-sambubioside 
pellitorine 
peloruside A 
pemetrexed  
pemetrexed disodium +  
pemetrexed disodium heptahydrate 
Penasin A 
Penasin B 
Penasin C 
Penasin D 
Penasin E 
Pendolmycin 
pennogenin +  
penochalasin A 
pentabromopseudilin 
pentalenic acid 
pentan-1-ol +   
pentan-3-amine 
pentostatin 
pentyl acetate 
pentyl butyrate 
peonidin +   
peonidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) 
peonidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside) 
peonidin 3-O-(6-O-acetyl-beta-D-glucoside) 
peonidin chloride  
peptide YY 
Performone B 
Periglaucine A 
Periglaucine B 
Periglaucine C 
Periglaucine D 
perillene 
perillic acid +   
perillyl aldehyde  
perlolyrine 
Perovskone B 
peroxynitrite 
Persenone A 
Persenone B 
pescaprein XXI 
pescaprein XXII 
pescaprein XXIII 
pescaprein XXIV 
pescaprein XXIX 
pescaprein XXV 
pescaprein XXVI 
pescaprein XXVII 
pescaprein XXVIII 
pescaprein XXX 
Pestaloquinol A 
Pestaloquinol B 
Pestalospirane A 
Pestalospirane B 
Pestalotheol C 
Petasiformin A 
petiolaroside decaacetate 
petunidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside) 
petunidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside) 
petunidin 3-O-beta-D-glucoside  
petunidin chloride 
Peucedanone 
pevonedistat  
pexidartinib  
PF-00477736  
PF-06409577 
PF-3758309  
PF-573228 
PHA-533533 
PHA-665752  
phakellistatin 14 
phantomolin 
phaseic acid +  
phaseolotoxin 
Phe-Ala 
Phe-Ala-Asp 
Phe-Ala-Gly 
Phe-Ala-Pro 
Phe-Arg 
Phe-Asn 
Phe-Asp 
Phe-Asp-Cys 
Phe-FMDP 
Phe-Glu 
Phe-Gly 
Phe-Gly-Gly 
Phe-His 
Phe-Ile 
Phe-Met 
Phe-Phe-Asp 
Phe-Pro 
Phe-Pro-Pro 
Phe-Ser  
Phe-Thr 
Phe-Trp 
Phe-Trp-Ala 
Phe-Trp-Trp 
Phe-Tyr 
Phe-Val 
Phe-Val-Asp 
phellamurin 
phenacyl bromide  
phenethyl acetate 
phenethyl butyrate 
phenethyl caffeate  
phenethyl isobutyrate 
phenethyl isothiocyanate +   
phenformin  
phenmetrazine 
phenylacetaldehyde +   
phenylacetate +  
phenylacetic acid +   
phenylacetyl-CoA +  
phenylacetyl-CoA(4-) +  
phenylacetylglycine +   
phenylacetylglycine(1-) 
phenylarsine oxide  
phenylbutazone +   
phenylethanolamine +  
phenylethanolaminium 
phleomycin 
phleomycin D1 +  
phlobaphene 
phlomuroside 
phloretin +   
phomacin A 
phomacin B 
phomacin C 
Phomoarcherin A 
Phomoarcherin B 
Phomoarcherin C 
phomoxanthone A 
phomoxanthone B 
phorbol +   
phorbol 13-acetate 12-myristate  
phorbol ester +   
phosphate ion +   
phosphatidate(2-) +  
phosphatidyl-L-serine +  
phosphatidyl-N,N-dimethylethanolamine +  
phosphatidyl-N-methylethanolamine +  
phosphatidylcholine (16:0/20:5) 
phosphatidylcholine 16:2 
phosphatidylcholine 24:0 +  
phosphatidylcholine 26:0 +  
phosphatidylcholine 28:0 +  
phosphatidylcholine 28:1 +  
phosphatidylcholine 28:2 +  
phosphatidylcholine 28:3 
phosphatidylcholine 28:4 
phosphatidylcholine 28:5 
phosphatidylcholine 28:6 
phosphatidylcholine 29:1 +  
phosphatidylcholine 30:0 +  
phosphatidylcholine 30:1 +  
phosphatidylcholine 30:2 +  
phosphatidylcholine 30:3 
phosphatidylcholine 30:4 
phosphatidylcholine 30:5 
phosphatidylcholine 30:6 
phosphatidylcholine 32:0 +   
phosphatidylcholine 32:1 +  
phosphatidylcholine 32:2 +  
phosphatidylcholine 32:3 +  
phosphatidylcholine 32:4 
phosphatidylcholine 32:5 
phosphatidylcholine 32:6 
phosphatidylcholine 33:1 +  
phosphatidylcholine 34:0 +  
phosphatidylcholine 34:1 +  
phosphatidylcholine 34:2 +   
phosphatidylcholine 34:4 +  
phosphatidylcholine 34:5 
phosphatidylcholine 34:6 
phosphatidylcholine 35:3 +  
phosphatidylcholine 35:4 +  
phosphatidylcholine 36:0 +  
phosphatidylcholine 36:1 +  
phosphatidylcholine 36:2 +  
phosphatidylcholine 36:3 +  
phosphatidylcholine 36:4 +   
phosphatidylcholine 36:5 +  
phosphatidylcholine 36:6 +  
phosphatidylcholine 38:0 +  
phosphatidylcholine 38:1 +  
phosphatidylcholine 38:2 +  
phosphatidylcholine 38:3 +  
phosphatidylcholine 38:4 +  
phosphatidylcholine 38:6 +   
phosphatidylcholine 38:7 +  
phosphatidylcholine 40:0 
phosphatidylcholine 40:1 +  
phosphatidylcholine 40:2 +  
phosphatidylcholine 40:3 +  
phosphatidylcholine 40:4 +  
phosphatidylcholine 40:5 +  
phosphatidylcholine 40:6 +  
phosphatidylcholine 40:7 +  
phosphatidylcholine 42:0 +  
phosphatidylcholine 42:1 +  
phosphatidylcholine 42:2 +  
phosphatidylcholine 42:3 
phosphatidylcholine 42:4 +  
phosphatidylcholine 42:5 +  
phosphatidylcholine 42:6 +  
phosphatidylcholine 42:7 
phosphatidylcholine 44:0 
phosphatidylcholine 44:1 
phosphatidylcholine 44:2 
phosphatidylcholine 44:3 
phosphatidylcholine 44:4 
phosphatidylcholine 44:5 
phosphatidylcholine 44:6 
phosphatidylcholine O-30:0 +  
phosphatidylcholine O-30:1 +  
phosphatidylcholine O-30:2 +  
phosphatidylcholine O-32:1 +  
phosphatidylcholine O-32:2 +  
phosphatidylcholine O-34:0 +  
phosphatidylcholine O-34:1 +  
phosphatidylcholine O-34:2 +  
phosphatidylcholine O-34:3 +  
phosphatidylcholine O-34:4 
phosphatidylcholine O-34:5 
phosphatidylcholine O-34:6 
phosphatidylcholine O-36:0 +  
phosphatidylcholine O-36:1 +  
phosphatidylcholine O-36:2 +  
phosphatidylcholine O-36:3 +  
phosphatidylcholine O-36:4 +  
phosphatidylcholine O-36:5 +  
phosphatidylcholine O-36:6 
phosphatidylcholine O-38:0 +  
phosphatidylcholine O-38:1 +  
phosphatidylcholine O-38:2 +  
phosphatidylcholine O-38:3 +  
phosphatidylcholine O-38:4 +  
phosphatidylcholine O-38:5 +  
phosphatidylcholine O-38:6 +  
phosphatidylcholine O-38:7 
phosphatidylcholine O-40:0 +  
phosphatidylcholine O-40:1 +  
phosphatidylcholine O-40:2 +  
phosphatidylcholine O-40:3 +  
phosphatidylcholine O-40:4 +  
phosphatidylcholine O-40:5 +  
phosphatidylcholine O-40:6 +  
phosphatidylcholine O-42:0 +  
phosphatidylcholine O-42:1 +  
phosphatidylcholine O-42:2 +  
phosphatidylcholine O-42:3 +  
phosphatidylcholine O-42:4 +  
phosphatidylcholine O-42:5 
phosphatidylcholine O-44:0 
phosphatidylcholine O-44:1 
phosphatidylcholine O-44:2 
phosphatidylcholine O-44:3 +  
phosphatidylcholine O-44:4 +  
phosphatidylcholine O-44:5 +  
phosphatidylcholine O-44:6 
phosphatidylethanolamine 19:1 
phosphatidylethanolamine 20:4/18:1 
phosphatidylethanolamine 36:2 +  
phosphatidylethanolamine 36:3 +  
phosphatidylethanolamine 38:1 +  
phosphatidylethanolamine 38:3 +  
phosphatidylethanolamine 38:4 +  
phosphatidylglycerol 12:0 +  
phosphatidylglycerol(1-) +  
phosphatidylserine 18:0 
phosphatidylserine 40:1 
phosphatidylserine 40:2 
phosphatidylserine 42:1 
phosphatidylserine O-18:0/0:0 
phosphatoquinone A 
phosphatoquinone B 
phosphocholine +   
phosphoenolpyruvate  
phosphoric acid +   
phoyunbene A 
phoyunbene B 
phoyunbene C 
phoyunbene D 
phylloquinone  
Phyllostacin I 
physalin B 
physalin D 
physalin F 
physcion +   
phytanate +  
phytanoyl-CoA(4-) 
phytocannabinoid +   
phytochelatin +   
PI-103 
piceatannol +   
picolinic acid +   
picropodophyllotoxin  
pierreione A 
pierreione B 
pierreione C 
pierreione D 
pimasertib 
Pimelotide A 
Pimelotide C 
Pimelotide D 
Pimelotides B 
pimeloyl-CoA +  
pinguisenol 
Pinnarine 
pinobanksin 
pinocembrin +   
pinoquercetin 
pinusolide 
pipecolate +  
pipercallosidine 
pipercallosine 
Pipercyclobutanamide A(rel) 
piperidine +   
pipobroman 
Piptamine(antibiotic) 
pirazofurin 
pirtobrutinib 
pisoniamide 
pisonianone 
pisonin A 
pisonin B 
pisonin D 
pisonin E 
pisonin F 
pisonivanol 
pisonolic acid 
Pitiprolamide 
PJ34  
PJ34 hydrochloride 
PK-11195  
plakortolide K 
plakortolide L 
plakortolide M 
plakortolide N 
plakortolide O 
plakortolide P 
plakortolide Q 
plakortolide R 
plakortolide S 
plakortone L 
plakortone N 
plakortone P 
Plastoquinone 1 
Plastoquinone 2 
platanic acid 
Platencin A11 methyl ester 
Platencinic acid glycerol ester 
platensic acid +  
platensic acid methyl ester 
platensimide A 
platensimycin A6 methyl ester 
platensimycin B1 
platycodin D  
platycodin D2 
platycodin D3  
Platycodon saponin 1 
Platycodon saponin 2 
Platyconic acid A 
platyconic acid B lactone 
platycoside E 
plaunotol  
Plectranthol A 
Plectranthol B 
pleosporone 
plerixafor  
plinabulin 
plitidepsin  
PLS-123 
plumbagin  
PLX-4720  
PM-94128 
PM050463 
PM050511 
PM060054 
PM060431 
pochonin D 
Pochonin G 
podophyllotoxin +   
Polacandrin 
Polpunonic acid  
poly(N-acetyllactosamine)  
polygalacin D 
polygalacin D2 
polygalacin D3 
Polyhydroxylated cyclic sulfoxide 
polyketomycin 
polyketone 
Polysiphenol 
pomalidomide  
Pomolic acid 
ponatinib  
ponatinib hydrochloride 
Ponicidin  
Pordamacrine A, (rel)- 
Pordamacrine B, (rel)- 
porfimer 
porfimer sodium 
porphobilinogen  
porphobilinogen(1-) 
porphyrin +   
potassium(1+) +   
pouogenin A 
pouogenin B 
pouogenin C 
pouogenin D 
pouogenin E 
pouoside A 
pouoside B 
pouoside D 
pouoside F 
pouoside G 
pouoside H 
pouoside I 
powelline Trifluoroacetic acid 
poziotinib 
PP121 
pracinostat 
praecanson A 
pralatrexate 
pravastatin  
preaustinoid A 
preaustinoid A1 
prednisolone +   
prednisolone phosphate 
prednisone +   
Pregna-1,4,20-trien-3-one 
pregnenolone +   
pregnenolone sulfate  
Preleosibirone A, (rel)- 
Premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate 
prenyl diphosphate(3-) 
prenylcandidusin A 
prenylcandidusin B 
prenylcandidusin C 
prenylterphenyllin 
prenylterphenyllin A 
prenylterphenyllin B 
prenylterphenyllin C 
Preremirol 
presqualene diphosphate(3-) 
preuroporphyrinogen(8-) 
previtamin D3 
primapterin 
primin 
prinomastat  
prinomastat hydrochloride 
pristanal 
pristanic acid +  
pristanoyl-CoA +  
Pro-Ala 
Pro-Ala zwitterion 
Pro-Arg 
Pro-Asn 
Pro-Asp 
Pro-Gln 
Pro-Glu 
Pro-Hyp 
Pro-Hyp zwitterion 
Pro-Ile 
Pro-Leu 
Pro-Lys 
Pro-Phe 
Pro-Pro-Pro 
Pro-Ser 
Pro-Trp 
Pro-Trp-Val-Gly 
Pro-Tyr 
Pro-Val 
Pro-Val-Gly-Pro 
proansamycin X 
proanthocyanidin A2 
procarbazine  
procarbazine hydrochloride 
proceranolide 
prochaetoglobosin III 
prochaetoglobosin IV 
procyanidin B1 +   
procyanidin B1 3'-O-gallate 
procyanidin B1 3-O-gallate 
procyanidin B2 +   
procyanidin B2 3'-O-gallate 
procyanidin B2 3-O-gallate 
procyanidin B3 +   
procyanidin B3 3'-O-gallate 
procyanidin B3 3-O-gallate 
procyanidin B4 +  
procyanidin B4 3'-O-gallate 
procyanidin B4 3-O-gallate 
procyanidin B5 
procyanidin B6 
procyanidin B8 
procyanidin C1 
procyanidin C2 
prodigiosin  
progesterone +   
proINDY 
prokaryotic metabolite +   
Proliferin A 
Proliferin B 
Proliferin C 
proline +   
promegestone  
propan-1-ol +   
propane-1,3-diol +  
Propindilactone L 
propionate +   
propionyl-CoA +   
propionyl-CoA(4-) +  
Propolis neoflavonoid 1 
Propolis neoflavonoid 2 
propyl butyrate 
propyl hexanoate 
propyl octadecanoate 
propyl octanoate 
propyl propionate 
prosopinine 
prostaglandin A1(1-) +  
prostaglandin A2 +   
prostaglandin B1  
prostaglandin B2 
prostaglandin C1(1-) 
prostaglandin C2 
prostaglandin D1 
prostaglandin D1(1-) 
prostaglandin D2 +   
prostaglandin D2 1-glyceryl ester 
prostaglandin D2(1-) 
prostaglandin D3  
prostaglandin E1 +   
prostaglandin E1(1-) +  
prostaglandin E2 +   
prostaglandin E2 1-glyceryl ester 
prostaglandin E2 2-glyceryl ester 
prostaglandin E2(1-) +  
prostaglandin E2-UM 
prostaglandin E3  
prostaglandin F1alpha +   
prostaglandin F2alpha +   
prostaglandin F2alpha 1-glyceryl ester 
prostaglandin F2alpha 2-glyceryl ester 
prostaglandin F2alpha dimethylamine 
prostaglandin F2alpha(1-) 
prostaglandin F2beta 
prostaglandin G1 
prostaglandin G1(1-) +  
prostaglandin G2 +   
prostaglandin G2 2-glyceryl ester 
prostaglandin H2 2-glyceryl ester 
prostaglandin H2(1-) 
prostaglandin H3 
prostaglandin I2 2-glyceryl ester 
prostaglandin I2(1-) +  
prostaglandin J2 +   
prostaglandin J3 +  
prostratin  
protirelin 
protobassic acid +  
protodioscin 
protopanaxadiol +   
protopanaxatriol 
protoporphyrin +   
protoporphyrinate 
protoporphyrinogen(2-) 
protosappanin A 
protostemonine 
Protoxylocarpin A 
Protoxylocarpin B 
Protoxylocarpin C 
Protoxylocarpin D 
Protoxylocarpin E 
prunetin +   
prunin 6''-O-gallate 
Przewalskin B 
PS-1145 
Psammosilenin B 
Pseudocolumbamine 
Pseudoginsenoside RT1 
Pseudoginsenoside RT1 butyl ester 
Pseudoginsenoside RT1 methyl ester 
pseudoneolinderane 
Pseudopalmatine 
Pseudopterosin G-J aglycone 
Pseudopteroxazole 
pseurotin A +  
psorospermin  
psychosine +  
psychosine sulfate 
psychosine(1+) 
Pterocidin 
pterolinus B 
pterolinus D 
pterolinus E 
pterolinus F 
pterolinus G 
pterolinus H 
pterolinus I 
pterolinus J 
pterostilbene  
Pulchellalactum 
pulcherriminate(2-) 
pulcherriminic acid +  
Pulicatin A 
Pulicatin B 
Pulicatin C 
Pulicatin D 
Pulicatin E 
pulicatin F 
pulicatin G 
Pulsatilla saponin D 
Pulvinatal 
purealidin L 
purgin I 
purginoside I 
purginoside II 
purine-6-thiol  
puromycin +   
purpurester A 
purpurester B 
Pycnarrhine 
pyochelin +  
PYR-41 +  
pyranojacareubin 
Pyridinopyrone A 
Pyridinopyrone B 
Pyridinopyrone C 
pyridoxal +   
pyridoxal 5'-phosphate +   
pyridoxal 5'-phosphate(2-) 
pyridoxal hydrochloride 
pyridoxamine +   
pyridoxamine 5'-phosphate 
pyridoxamine 5'-phosphate(1-) 
pyridoxamine dihydrochloride 
pyridoxamine hydrochloride 
pyridoxaminium(1+) +  
pyridoxatin 
pyridoxine +   
pyridoxine 5'-phosphate(2-) 
pyripyropene A 
pyroglutamylglutaminate 
pyroglutamylglutamine 
Pyrolaside B 
pyrrole-2,5-dicarboxylic acid +  
pyrrole-3,4-dicarboxylic acid 
pyrrole-3-carboxylic acid 
pyrrolidin-2-one 
pyrrolidine dithiocarbamate  
pyrvinium  
quassimarin 
quercetin +   
quercetin 3,4'-dimethyl ether 
quercetin 3-O-(6-O-malonyl-beta-D-glucoside) 
quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside) 
quercetin 3-O-alpha-D-rhamnofuranoside 
quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside] 
quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside 
quercetin 3-O-alpha-L-fucopyranoside 
quercetin 3-O-alpha-L-rhamnofuranoside 
quercetin 3-O-beta-D-fucopyranoside 
quercetin 3-O-beta-D-glucofuranoside  
quercetin 3-O-beta-D-glucopyranoside  
quercetin 3-O-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside 
quercetin 3-O-beta-L-fucopyranoside 
quercetin 3-O-beta-L-rhamnofuranoside 
quercetin 4'-O-alpha-L-rhamnopyranosyl-3-O-beta-D-allopyranoside 
quercetin 4'-O-beta-D-glucopyranoside  
quercetin 7,3',4'-trimethyl ether 
quercetin 7-O-alpha-D-rhamnopyranoside 
quercetin 7-O-alpha-L-rhamnopyranoside 
quercetin 7-O-beta-D-glucoside 
quercetin 7-O-beta-L-rhamnopyranoside 
quercetin-3-O-alpha-D-arabinofuranoside 
quercetin-7-O-[alpha-L-rhamnopyranosyl(1->6)-beta-D-galactopyranoside] 
quillaic acid +  
quinaldate 
quinaldic acid 
quinolinate(1-) +  
quinolinate(2-) 
quinoline-4,6-diol 
quinoline-4,8-diol 
quinolinic acid  
quinoxalin-2-ol +   
quisinostat 
quizartinib  
R-(-)-3-hydroxynornuciferine 
R-(-)-actinodaphnine 
R-(-)-asimilobine 
R-(-)-norushinsunine 
rabdosichuanin A 
Rabdoternin A 
Rabdoternin E 
rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate 
rac-1-monolinoleoylglycerol 
rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate 
rac-crizotinib 
rac-N-methyllaudanosolinium trifluoroacetate 
radicicol  
Ramonanin A, (rel)- 
Ramonanin B, (rel)- 
Ramonanin C, (rel)- 
Ramonanin D, (rel)- 
raspberry ketone  
ravidomycin 
rediocide A 
rediocide C 
rediocide E 
rediocide F 
rediocide G 
regorafenib +   
regorafenib hydrate 
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide 
rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide 
rel-(+)-(1R,10R)-cembra-2E,4E,7E,11Z-tetraen-20,10-olide 
rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide 
rel-(+)-(1S,4R,8S,10R)-1,4,8-trihydroxycembra-2E,6E,11Z-trien-20,10-olide 
rel-(+)-(1S,4S,7R,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide 
rel-(+)-(5R,10R)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide 
rel-(-)-(1R,4R,10R)-4-methoxycembra-2E,7E,11Z-trien-20,10-olide 
rel-(-)-(1S,4R,10R)-1,4-dihydroxycembra-2E,7E,11Z-trien-20,10-olide 
rel-(-)-(1S,4R,10R)-1-hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide 
rel-(-)-(1S,4S,10R)-1,4-dihydroxycembra-2E,7E,11Z-trien-20,10-olide 
rel-(-)-(1S,4S,7S,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide 
rel-(1R,2E,4R,7E,11S,12R)-2,7,18-Dolabellatriene 
rel-(1R,3E,7E,11R,12R)-12-Hydroxy-3,7-dolabelladiene 
rel-(1R,3E,7E,11S,12R)-14-Oxo-3,7,18-dolabellatriene 
rel-(1R,3Z,7E,11S,12S)-14-Oxo-3,7,18-dolabellatriene 
rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene 
rel-(1R,4S,6aS,7R,9aR)-1-Hydroxy-7-isopropyl-1,4,9a-trimethyl-1,4,5,6,6a,7,8,9,9a,10-decahydro-2H-dicyclopenta[a,d]cycloocten-3-one 
rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one 
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one 
rel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane 
rel-(2R,5S,7S,10S)-10-Methyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-6-methylenespiro[4.5]decan-7-ol 
rel-(2R/S,4R,5R)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane 
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane 
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylpropyl)-1,3-dioxolane 
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-dioxolane 
rel-(3aR,4S,6aS,7R,9aR,10aS)-10a-Hydroxy-7-isopropyl-1,4,9a-trimethyl-4,5,6,6a,7,8,9,9a,10,10a-decahydro-3aH-dicyclopenta[a,d]cycloocten-3-one 
rel-(3R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3-hydroxy-4-methoxy-5b,8,8,11a,13a-pentamethyl-1-oxo-1,3,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrochryseno[2,1-c]furan-13-yl acetate 
rel-(4S,5S,7R)-1,4-Dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde 
rel-(7R,8R,7'R,8'R)-3',4'-methylenedioxy-3,4,5,5'-tetramethoxy-7,7'-epoxylignan 
rel-(7R,8R,7'R,8'R)-3,4,3',4'-dimethylene-dioxy-5,5'-dimethoxy-7,7'-epoxylignan 
rel-(7S,8S,7'R,8'R)-3,3',4,4',5,5'-hexamethoxy-7.O.7',8.8'-lignan 
rel-(R)-1-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)ethyl acetate 
rel-1,2-Dihydro-5-hydroxy-9'R-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid 
rel-1,2-Dihydro-5-hydroxy-9'S-methyl-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-1alpha-decenoate-resiniferonol-10'-oic acid 
rel-12-O-(4Z)-Deca-4-enoylphorbol-13-acetate 
rel-12-O-(4Z,7Z)-Deca-4,7-dienoylphorbol-13-acetate 
rel-12-O-Octanoylphorbol-13-acetate 
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,20-trihydroxytiglia-1,5-diene-3,7-dione 
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one 
rel-20R,24S-epoxy-25-hydroxy-A-homo-4-oxadammaran-3-one 
rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester 
rel-6'-O-cinnamoyl-8-O-(6'-O-cinnamoylglucopyranosyl)mussaenosidic acid 
rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate 
rel-Cyclo-(Pro-Pro-Ala-Gly-Leu-Ala-Thr-Phe) 
rel-sodium 2-((1S,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-13-acetoxy-1,4-dimethoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-5,5a,6,7,7a,8,9,10,11,11a,11b,12,13,13a-tetradecahydro-1H-phenanthro[2,1-e]isoindol-2(3H,4H,5bH)-yl)acetate 
remangiflavanone A 
remangiflavanone B 
Remisporin A 
repotrectinib 
RepSox 
resminostat 
resolvin D5 
respirantin 
retaspimycin 
retaspimycin hydrochloride 
retinal +   
retinoic acid +   
retinol +   
reumycin +  
reversine 
reynosin 
rhamnacene +  
rhamnetin 
rhapontigenin +   
rhinacanthin C 
rhinacanthin D 
rhizoxin 
rhodiocyanoside A 
rhodomycin D 
rhosin 
rhuscholide A 
Rhynchophylline  
ribitol +   
riboflavin cyclic 4',5'-phosphate 
ribostamycin +  
ribothymidine +  
ricolinostat  
ridaforolimus  
rifampicin +   
rigosertib 
rigosertib sodium 
riviciclib 
Ro 48-8071 
Ro 48-8071 fumarate 
Ro 5-3335 
robinetinidol-(4alpha,8)-catechin 
robinetinidol-(4alpha,8)-gallocatechin 
robustaflavone +  
robustaflavone 7,4',7''-trimethyl ether 
robustaside D 
robustaside E 
robustaside F 
robustaside G 
robustine 
rocaglamide  
roducitabine 
rohitukine 
romidepsin  
Roseotoxin S 
rostratin A 
rostratin B 
rostratin C 
rostratin D 
rotenone  
rottlerin  
Rotundic acid 
rotundifolioside A 
rotundifolioside H 
rotundifolioside I 
rotundifolioside J 
rotundifuran 
Rotungenic acid 
RPR112698 
RPR123142 
RSL3 
RSL5 
RU 58668  
ruageanin B 
rubesanolide D 
rubiarbonol F 
rubiarbonol G 
rubiarbonol K 
rubiarbonone A 
rubiarbonone E 19-acetate 
rubiarboside G 28-acetate 
rubimaillin  
rubinaphthin A methyl ester 
rubitecan  
rubiyunnanol A 
rubiyunnanol B 
rubiyunnanol C 
rubraxanthone 
rubriflordilactone B 
Rubrisandrin A(2:1 Inseparable mixture of regeoisomers) 
rubusoside +   
rucaparib  
rutin  
ruxolitinib +   
ruxolitinib phosphate 
ryuvidine 
S(6)-acetyldihydrolipoamide +  
S(8)-(2-methylbutanoyl)dihydrolipoamide 
S(8)-(2-methylpropanoyl)dihydrolipoamide 
S(8)-(3-methylbutanoyl)dihydrolipoamide 
S(8)-aminomethyldihydrolipoylprotein 
S(8)-glutaryldihydrolipoamide 
S(8)-succinyldihydrolipoamide 
S-(+)-3-hydroxynornantenine 
S-(+)-N-methylcorydine 
S-(-)-7,8-Didehydro-10-O-demethylxylopinine 
S-(-)-7,8-Didehydrocorydalmine 
S-(2-succinyl)-L-cysteine 
S-(hydroxymethyl)glutathione(1-) 
S-3'-hydroxy-4,4'-dimethoxydalbergione 
S-adenosyl-L-methioninate  
S-adenosyl-L-methionine +   
S-adenosylmethioninaminium 
S-allylcysteine  
S-allylcysteine zwitterion 
S-formylglutathionate(1-) 
S-formylglutathione 
S-methyl methanethiosulfonate  
S-methyl-5-thio-alpha-D-ribose 1-phosphate(2-) 
S-methyl-5-thio-D-ribose 
S-methyl-5-thio-D-ribulose 1-phosphate(2-) 
S-octyl ethanethioate 
S-sulfo-L-cysteine 
Saccharumoside A 
Saccharumoside B 
Saccharumoside C 
Saccharumoside D 
sacrotride A 
safrole  
SAICAR(4-) 
saintopin 
salaspermic acid 
salicin +   
Salicinolide 
salinosporamide A 
salsalate  
salutaridine 
Salvadione C 
salvianolic acid B  
salvigenin  
salvileucalin B 
salvin A 
salvin B 
salvinorin A 
samaderine B 
samaderine C 
samaderine E 
samaderine X 
samaderine Y 
samaderine Z 
Samboginone, (rel)- 
sandaracopimaradiene-1alpha,9alpha-diol 
sandaracopimaradienediol 
sandaracopimaradienolal 
sandwicensin 
Saniculamoid A, rel- 
Saniculamoid B 
Saniculamoid C 
Saniculamoid D 
sapacitabine 
sapanisertib  
sapienic acid +  
sapintoxin D 
saponin +   
Sapotexanthin 
sappanchalcone  
sapropterin +   
saracatinib  
Sarcodonin-delta 
sarcosinate 
sarcosine +  
sarcosinium 
sarmentologenin +  
Sarmentosumin A 
Sarmentosumin B 
Sarmentosumin C 
Sarmentosumin D 
satraplatin  
savolitinib 
Saxicolaline A 
SB-743921 
SB225002 
SC-58125  
SC560 
scalarin 
sch 54445 
sch 725432 
SCH51344 
SCH772984  
schiprolactone A 
schisanlactone A 
schisanwilsonene A 
Schizanthine N 
Schizanthine O 
Schizanthine P 
schizolaenone A 
schizolaenone B 
Scholaricine 
schweinfurthin E 
schweinfurthin F 
schweinfurthin G 
schweinfurthin H 
sciscllascilloside E-1 
scleropyric acid 
scoparic acid A 
scopolamine +   
scorzotomentosin, (rac)- 
scroside D 
Sculponeatin C 
scutebarbatine C 
scutebarbatine D 
scutebarbatine E 
scutebarbatine F 
scutebarbatine G 
Scutebarbatine I(rel) 
Scutebarbatine J(rel) 
Scutebarbatine K(rel) 
Scutebarbatine L(rel) 
scutellarein +   
scutellarin  
scutianthraquinone A 
scutianthraquinone B 
scutianthraquinone C 
scyllo-inositol +   
scytalidamide A 
scytalidamide B 
Scytonemide A 
Scytonemide B 
Se-butyl pentaneselenoate 
Se-methyl-L-selenocysteine +   
Se-methylselenocysteine +   
sebacate(2-) 
sebacic acid +   
sec-butyl butyrate 
seco-plakortolide K 
seco-plakortolide L 
seco-plakortolide O 
seco-plakortolide P 
seco-Pseudopteroxazole 
secoaggregatalactone A 
sedoheptulose 1,7-bisphosphate(4-) 
sedoheptulose 7-phosphate 
sedoheptulose 7-phosphate(2-) 
selenate +   
selenide +   
selenocysteine +   
selenodiglutathione 
selenophosphate 
selinexor  
selumetinib  
semaxanib  
semicochliodinol A 
semicochliodinol B 
semustine  
sepantronium bromide 
sequirin C 
Sequosempervirin B 
Sequosempervirin D 
Sequosempervirin F 
Ser-Ala 
Ser-Asn 
Ser-Asp 
Ser-Gln 
Ser-Glu 
Ser-Gly 
Ser-His 
Ser-Leu 
Ser-Met 
Ser-Phe 
Ser-Pro 
Ser-Tyr 
Ser-Val 
sericealactone, (rel)- 
Serinolamide A 
serotonin +   
serotonin(1+) 
Seselidiol 
Seselin 
sesquicannabigerol 
sesquithujene 
sesterstatin 1 
sesterstatin 2 
sesterstatin 3 
SF2523 
Sg17-1-4 
SH-1242 
shamixanthone 
shizukaol A 
shizukaol B 
shizukaol C 
shizukaol D 
shizukaol F 
shizukaol H 
siamenol 
sibiromycin 
sibiskoside 
Sieboldine A(rel) 
sigmoidin A 
sigmoidin B 
silandrin 
silibinin  
silvestrol 
silychristin  
simalikalactone D 
simplexin 
sinapoyl-isovitexin 2''-O-arabinoside 
sinularia glycoside 
sinularolide B 
sinularolide C 
sinularolide D 
sinularolide E 
sirolimus +   
sitoindoside IX 
skatole  
SKF-96365 hydrochloride  
skimmiarepin A 
skimmiarepin C 
slaframine 
SLC-0111 
SM-164  
Smardaesidin A, (rel)- 
Smardaesidin B, (rel)- 
Smardaesidin C, (rel)- 
Smardaesidin D 
Smardaesidin E, (rel)- 
Smardaesidin F 
Smardaesidin G 
Smenospongines B 
SMIP004 
SN-38 +   
sn-glycerol 3-phosphate 
sn-glycerol 3-phosphate(2-) 
SNC-80 
soblidotin 
sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate 
sodium 3-hydroxybutyrate 
sodium arsenite  
sodium ascorbate 
sodium dehydroepiandrosterone sulfate 
sodium gallate 
sodium globostellatate A 
sodium globostellatate B 
sodium globostellatate C 
sodium globostellatate D 
sodium glycochenodeoxycholate 
sodium glycodeoxycholate 
sodium glyoxylate 
sodium hexanoate 
sodium meclofenamate monohydrate 
sodium methoxyacetate 
sodium orotate 
sodium stibogluconate  
sodium(1+) +   
sodium(2R,3R,E)-9-(2,5-dihydroxyphenyl)-3,7-dimethyl-1-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)non-7-en-2-yl sulfate 
sodium(2R,3R,Z)-9-(2,5-dihydroxyphenyl)-3,7-dimethyl-1-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)non-7-en-2-yl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,3S,4R,5R)-3,4-dihydroxy-2,5-dimethoxytetrahydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1H-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
sodium(E)-((1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)decahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate 
Solacongestidine 
solanine 
solasodine(1+) 
soldanelline B 
somocystinamide A 
sonidegib +   
sonidegib phosphate 
sophoraflavanone A 
sophoraflavanone L 
sorafenib +   
sordaricin 
sordarin +  
sorocenol G 
sorocenol H 
sotolone 
sotorasib  
soulattrolide 
spermidine(3+) +  
spermine(4+) +  
Sphaeropsidin A 
Sphaeropsidin B 
Sphaeropsidin C 
Sphaeropsidin D 
Sphaeropsidin E 
Sphaeropsidin F 
sphinganine +   
sphinganine 1-phosphate(1-) 
sphinganine(1+) +  
sphingomyelin 32:1 +  
sphingomyelin 33:1 +  
sphingomyelin 34:2 +  
sphingomyelin d18:1(1+) 
sphingosine +   
sphingosine 1-phosphate(1-) 
sphingosine(1+) +  
spicachlorantin B 
spiculoic acid A 
spinosad  
spiroluchuene B 
spiruchostatin B  
Spiruchostatin C 
spongia-13(16),14-dien-19-oic acid 
spongotine A 
SQ 26,992 
squalene +   
squamostatin-A 
squamostatin-D 
squaric acid +  
SR11302 
SR9243  
SSTC3 
stachsterol 
Stachyline A, (E and Z)- 
Stachyline B 
Stachyline C 
Stachyline D 
staphyloxanthin 
statin (naturally occurring) +   
stattic  
stearoyl-CoA(4-) 
steffimycin D 
Stellarine A 
Stellarine B 
stemocurtisine 
stemocurtisine N-oxide 
stemocurtisinol 
stemofoline 
Stemofuran E 
stemofuran F 
stemofuran J 
stemofuran K 
stemofuran L 
Stemofuran M 
Stemofuran N 
Stemofuran O 
Stemofuran P 
Stemofuran Q 
Stemofuran R 
stemokerrine 
Steperoxide A 
Steperoxide B 
Stereumin H 
Stereumin I 
Stereumin J 
sterigmatocystin +   
steviol +   
steviol glycoside +   
steviolbioside 
steviolmonoside +  
stevioside +   
stigmast-5-ene-3beta,7alpha-diol 
stigmastane-3beta,5alpha,6beta-triol 
stigmasterol 3-O-beta-D-glucoside 
Stilbostemin F 
Stipuleanoside R2 
STM2457 
stoloniferin III 
streptidine +   
Streptobactin 
streptobiosamine 
streptokordin 
streptonigrin  
streptothricin +  
streptothricin E 
streptoverticillin 
streptozocin  
strongylin A 
strongylophorine-26 
strychnogucine A 
strychnogucine B 
SU11274 
SU4312 
SU6656  
suaveolindole 
subereamine A 
subereamine B 
subereaphenol D 
suberic acid +   
suberosol 
subulatin 
succinamic acid +  
succinate(2-) +  
succinyl-CoA(5-) 
succinyladenosine 
sucrose +   
sugiol +  
sulfamethoxazole hydroxylamine  
sulfate +   
sulfoglycochenodeoxycholic acid 
sulfoglycolithocholate(2-) 
sulfopin 
sulforaphane +   
sulindac +   
sulindac sulfide  
sulochrin +  
sunitinib +   
superoxide  
suramin  
suramin sodium 
SureCN668028 
surfactin  
surfactin A +   
surfactin B +   
surfactin C +   
surfactin D +   
surugapyrrole A 
surugapyrrole B 
Suvanine 
suvanine's sodium salt 
swainsonine  
swerchirin 
Swerilactone L, (rel)- 
Swerilactone M 
Swerilactone N 
Swerilactone O 
swertifrancheside 
swertipunicoside 
SYC-435 
symphytine oxide 
syn-copalol 
syncarpamide 
syrbactin +  
syringetin 
SZL-P1-41 
tabernaemontanine 
tabersonine +  
tacalcitol 
tacedinaline  
tachysterol 3 
tagatose 6-phosphate +  
Taibaienoside I 
taiwanhomoflavone A 
taiwanhomoflavone-B 
taiwanin C  
TAK-580 
TAK-632 
TAK-733 
Talaperoxide A 
Talaperoxide B 
Talaperoxide C 
Talaperoxide D 
talaroconvolutin A 
Talathermophilin C 
Talathermophilin D 
Talathermophilin E 
Talathermophilins A 
Talathermophilins B 
tallysomycin S10B 
talmapimod 
talosin A 
talosin B 
tamarixetin  
tamibarotene  
tamoxifen +   
tamoxifen N-oxide 
tamsulosin +   
tamsulosin hydrochloride +  
tanariflavanone C 
tanariflavanone D 
tandutinib 
tanespimycin  
tangeretin +   
tanghinigenin +  
tanghinin 
tannic acid  
taraxasterol  
taraxasterol acetate 
taraxerol 
taraxerone  
tasisulam 
tasumatrol E 
tasumatrol F 
Tasumatrol I(rel) 
Tasumatrol J(rel) 
Tasumatrol K 
tatridin A 
tatridin B 
taurine +   
tauro-beta-muricholate 
tauro-beta-muricholic acid  
taurochenodeoxycholate +  
taurochenodeoxycholic acid +   
taurocholate +   
taurocholic acid  
taurodeoxycholate 
taurodeoxycholic acid +   
taurolidine +  
taurolithocholate 
taurolithocholic acid +   
taurolithocholic acid sulfate  
taurolithocholic acid sulfate(2-) 
tauroursocholate 
tauroursocholic acid 
tauroursodeoxycholic acid  
taxa-4(20),11-dien-5alpha,13alpha-diol 
taxa-4(20),11-dien-5alpha-ol 
taxa-4(20),11-dien-5alpha-yl acetate 
taxusin +  
taxuyunnanin C 
TDZD-8 
tectochrysin  
teduglutide 
telatinib 
temozolomide  
teniposide  
tenovin-6 
tephrocandidin A 
tephrocandidin B 
tephrosin +   
terazosin +   
ternstroside A 
ternstroside B 
ternstroside C 
ternstroside D 
ternstroside E 
ternstroside F 
terpendole J 
terpendole K 
terpendole L 
terreic acid 
terrequinone A 
tert-butylglycine 
tesevatinib 
testosterone +   
testosterone 17-glucosiduronic acid  
testosterone acetate 
tetracenomycin +   
tetrachloro-1,4-benzoquinone  
tetracosahexaenoic acid +  
tetracosanoate +  
tetracosanoic acid +   
tetracosanoyl-CoA 
tetracyclines +   
tetradecan-2-ol 
tetradecanedioate(2-) 
tetradecanedioic acid +  
tetradecanoate +  
tetradecanoic acid +   
tetragastrin 
Tetrahydroauroglaucin 
tetrahydrocurcumin  
Tetrahydrofurospongin-2 
tetrahydroxysqualene 
tetramethylpyrazine  
tetraneurin E 
tetranor-12R-HETE 
tetratetracontane 
tetratriacontanoic acid 
tetrazolium violet  
TG101209 
Thailandepsin A 
Thailandepsin B 
thalictricavine 
thalidomide +   
thalifolin 
thiamine(1+) +   
thiamine(1+) diphosphate(1-) 
thiamine(1+) monophosphate +  
thiamine(1+) monophosphate(2-) 
thiamine(1+) triphosphate 
thiamine(1+) triphosphate(4-) 
thiencarbazone +  
thietane 
thiocyanate +   
thiodiglycol  
thiolutin 
Thiopalmyrone 
thioredoxin disulfide 
thioredoxin dithiol 
thiostrepton  
thiosulfate(2-) +   
thiouracil  
Thonningianin A  
Thonningianin B 
Thr-Ala 
Thr-Ala-Ala 
Thr-Ala-Asp 
Thr-Ala-His 
Thr-Ala-Ser 
Thr-Arg 
Thr-Asp 
Thr-Asp-Gly 
Thr-Gln 
Thr-Glu 
Thr-Gly 
Thr-His 
Thr-Leu 
Thr-Met 
Thr-Phe 
Thr-Pro 
Thr-Pro-Tyr 
Thr-Ser 
Thr-Thr-Asp 
Thr-Trp 
Thr-Trp-Asp 
Thr-Tyr 
threo-(7S,8R)-1-(4-hydroxyphenyl)-2-[4-(E)-propenylphenoxy]-propan-1-ol 
threo-1-(4-hydroxy-3-methoxyphenyl)-2-\{4-[-(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy\}-1,3-propanediol 
threo-carolignan E 
thromboxane A2(1-) +  
thromboxane B2 +   
thromboxane B3 
thunberginol F +  
thymidine +   
thymine +   
thymoquinone  
THZ1 
THZ531 
tiamulin  
tiazofurine  
tigilanol tiglate 
tiglylglycine 
tigogenin 3-O-beta-D-glucopyranoside 
tilivalline 
tilorone  
tilorone dihydrochloride 
Timosaponin A-III 
tioguanine +   
tipifarnib  
tipiracil 
tipiracil hydrochloride +  
tirapazamine  
tiratricol  
tirbanibulin  
tivozanib 
TMC-135A 
TMC-135B 
TMC-1A 
TMC-1B 
TMC-1C 
TMC-1D 
TMC-52B 
TMC-86A 
TMC-86B 
TMC-95A 
TMC-95B 
TMC-95C 
TMC-95D 
TMC-96 
tolbutamide  
tolypodiol 
tomaymycin +  
TOP-53 
topopyrone A 
topopyrone B 
topopyrone C 
topopyrone D 
topotecan  
toremifene  
torin 1  
torin 2 
torkinib 
Tormentic acid 
torososide B 
Torrubiellone A, (cis)- 
Torrubiellone B, (cis)- 
Torrubiellone C 
Torrubiellone D 
torvoside H 
totarol 
toxin +   
toxoflavin 
toyocamycin  
trabectedin  
Tracheloside 
trametinib +   
trametinib dimethyl sulfoxide 
tranilast  
trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane 
trans-1,2-dithiane-4,5-diol +  
trans-13-docosenamide 
trans-2,3-epoxydeca-4,6,8-triyn-1-ol 
trans-2-coumaric acid 
trans-2-decenoic acid +  
trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid 
trans-2-octadecenoyl-CoA 
trans-3-hydroxy-D-proline 
trans-3-hydroxy-L-proline +  
trans-3-methylglutaconyl-CoA(5-) 
trans-4-hydroxy-L-proline +  
trans-4-tert-butylcyclohexanecarboxylic acid 
trans-astringin 
trans-beta-farnesene +  
trans-caffeate +  
trans-dec-2-enoyl-CoA(4-) 
trans-dodec-2-enoyl-CoA(4-) 
trans-hex-2-enoyl-CoA 
trans-N-p-coumaroyl tyramine 
trans-oct-2-enoyl-CoA 
trans-piceid  
trans-rhaponticin +   
trans-tetradec-2-enoyl-CoA(4-) 
trans-urocanate 
trans-urocanic acid  
trans-vaccenate(1-) 
trapoxin A 
trehalose 6,6'-dimycolate 
triacylglycerol 50:6 +  
triacylglycerol 60:14 +  
triacylglycerol 62:15 +  
triapine  
triaziquone 
Tribenarthin 
tributyrin  
tricetin +   
trichagmalin D 
trichloro(docosyl)silane 
trichloroacetic acid +   
trichloroethyl beta-D-glucoside 
Trichodepsipeptide A 
Trichodepsipeptide B 
trichodermin 
trichodimerol 
trichodion 
Trichothecene analogue 
trichothecin 
Trichothecinol B 
Trichothosporon A, (rel)- 
tricin 7-O-[sinapoyl]-glucoside 
tricin 7-O-glucoside +  
tricosanoic acid +  
tridecan-1-ol 
tridecanal 
tridecanedioic acid 
trierixin  
triethylene glycol monomethyl ether 
trifluridine +   
trigochinin B 
trigochinin E 
trigoheteric acid methyl ester, (rel)- 
trigoheterin A, (rel)- 
trigoheterin B 
trigoheterin C, (rel)- 
trigoheterin D, (rel)- 
trigoheterin E, (rel)- 
trigohetone, (rel)- 
Trigohownin A, (rel)- 
Trigohownin B, (rel)- 
Trigohownin C, (rel)- 
Trigohownin D 
Trigohownin E, (rel)- 
Trigohownin F, (rel)- 
Trigohownin G, (rel)- 
Trigohownin H, (rel)- 
Trigohownin I, (rel)- 
Trigonosin A 
Trigonosin B 
Trigonosin C 
Trigonosin D 
Trigonosin E, (rel)- 
Trigonosin F, (rel)- 
trigoxyphin A 
trigoxyphin B 
Trigoxyphin D 
Trigoxyphin E 
Trigoxyphin F 
TriHOME +   
trilobacin 
trilostane  
trimethylamine N-oxide  
trimethylenediamine +   
trimethylenediaminium 
triphosphate(5-) +  
triplatin tetranitrate 
triplatin(4+) +  
triptobenzene K 
Triptogelin C-1 
triptolidenol 
triptonide  
triptorelin  
trisodium vanadate  
Tritoniopsin A, rel- 
Tritoniopsin B, rel- 
Tritoniopsin C, rel- 
Tritoniopsin D 
troglitazone  
Trp-Ala 
Trp-Ala-Asp 
Trp-Ala-Gly 
Trp-Arg 
Trp-Asp 
Trp-Asp-Ser 
Trp-Glu 
Trp-Gly 
Trp-Leu +  
Trp-Lys 
Trp-Phe 
Trp-Ser 
Trp-Tyr 
Trp-Val 
tryptamine +   
tryptaminium +  
tryptophan N-glucoside 
tsangibeilin A, rac- 
tsangibeilin B, rel- 
tsangin C 
tschimganine 
tsugarioside C 
TTT-3002 
tubelactomicin A 
Tuberatolide A 
Tuberatolide B 
tubercidin +   
tuberostemonine  
tuberostemonine A 
tuberostemonine N 
tubocapsanolide A +  
tubocapsanolide F 
tubulozole 
tulipinolide 
tumonoic acid A 
tumonoic acid B 
tumonoic acid C 
tumonoic acid E 
tumonoic acid F 
tumonoic acid G 
TuMP 
Tungtungmadic acid 
Tunicyclin B 
Tunicyclin C 
Tunicyclin D 
Turnagainolide A 
Turnagainolide B 
TW-37 
tylactone +   
Tyr-Ala 
Tyr-FMDP 
Tyr-Gln 
Tyr-Glu 
Tyr-Gly 
Tyr-Gly-Gly 
Tyr-His 
Tyr-Ile 
Tyr-Leu 
Tyr-Lys 
Tyr-Phe 
Tyr-Trp 
Tyr-Val 
tyramine +   
tyraminium 
tyrocidine C +  
tyrocidine D +  
tyrphostin AG 1478  
U0126 +   
U0126.EtOH 
ubiquinol-10 
ubiquinol-8 
ubiquinone-0  
ubiquinone-9  
UCS1025 A 
UDP(3-) 
UDP-alpha-D-glucuronate(3-) 
UDP-alpha-D-glucuronic acid +   
UDP-alpha-D-xylose(2-) 
UDP-D-galactose +   
UDP-D-galactose(2-) +  
UDP-D-glucose(2-) +  
UDP-N-acetyl-alpha-D-galactosamine  
UDP-N-acetyl-alpha-D-glucosamine(2-) 
UDP-N-acetyl-D-galactosamine(2-) +  
UNC0638 
undecanedioic acid 
undecanoate 
undecanoic acid +   
undecylprodigiosin 
undulifoline 
ungeremine 
uracil +   
urate anion +  
Urceolatin 
urdamycin A 
urea +   
uric acid +   
uridine +   
uridine 5'-monophosphate +   
uridine 5'-monophosphate(2-) +  
urobilinogen 
urocanate +  
urocanic acid +   
uroporphyrin I 
uroporphyrin III 
uroporphyrinogen I 
uroporphyrinogen III(8-) 
ursodeoxycholate 
ursodeoxycholic acid +   
UTP(4-) +  
uvaol 
uvaretin 
uvarigrandin A 
Vaby A 
Vaby B 
Vaby C 
Vaby D 
Vaby E 
vaccihein A 
vadimezan  
Val-Ala 
Val-Arg 
Val-Asn 
Val-Asn-Pro 
Val-Asp 
Val-FMDP 
Val-Gln 
Val-Glu 
Val-Gly 
Val-Gly zwitterion 
Val-His 
Val-Ile 
Val-Leu 
Val-Lys 
Val-Met 
Val-Phe 
Val-Pro +  
Val-Pro-Pro 
Val-Ser 
Val-Tyr 
Val-Tyr-Val 
valerena-4,7(11)-diene 
valpromide  
vancomycin aglycone +   
vandateroside I, (-)- 
vandateroside II, (-)- 
vandateroside III, (-)- 
vandetanib +   
vanilloloside 
vanillylmandelate 
vanillylmandelic acid  
variecolorquinone A 
variecolorquinone B 
varlitinib 
Varv E 
vatalanib +   
vatalanib succinate 
vedelianin +  
Velatumin 
Velatumolide, (rel)- 
velloquercetin 
vemurafenib  
venetoclax  
venturamide A 
venturamide B 
Veraguamide A 
Veraguamide B 
Veraguamide C 
Veraguamide D 
Veraguamide E 
Veraguamide F 
Veraguamide G 
Veraguamide H, (rel)- 
Veraguamide I, (rel)- 
Veraguamide J 
Veraguamide K 
Veraguamide L 
Veraguensin 
verlotorin 
verminoside 
verproside 
Verrucoside 
versiconal +  
versiconal hemiacetal acetate +  
verteporfin  
Verticillin G 
vestitone 
vieillardixanthone 
Vilmorrianone 
vincaleukoblastine +   
vincamine  
vincristine  
vincristine sulfate 
vincristine(2+) +  
vindesine +   
vindesine sulfate 
vinervine 
vinflunine 
vinorelbine +   
vinorelbine D-tartrate 
vinorelbine L-tartrate 
vinyl benzoate 
vinylamycin 
violacein  
violaceol I 
Viridamide A 
viridaphin A1 glucoside 
viridicatumtoxin 
vismodegib  
vitamin A +   
vitekwangin B 
vitetrifolin D 
Vitex norditerpenoid 1 
Vitex norditerpenoid 2 
vitexilactone 
vitexin +   
vittatine Trifluoroacetic acid 
volasertib 
volemitol 
vorinostat  
vosaroxin  
water +   
wedelolactone  
weigelic acid 
Wewakazole 
wikstroelide E 
withaferin A +   
withalongolide A 
withalongolide B 
withalongolide C 
withalongolide D 
withalongolide E 
withalongolide F 
withalongolide G 
withalongolide H 
withalongolide I 
withalongolide K 
withalongolide L 
withalongolide M 
withalongolide N 
withanolide D +  
wogonin +   
wortmannin +   
wrightiamine A 
WZ4002 
WZB-117 
xanthochymol 
xanthohumol  
xanthohumol B 
xanthohumol D 
xanthomicrol 
xanthopurpurin 
xanthosine  
Xanthoxyletin 
xenobiotic metabolite +   
xenovulene A 
Xerophilusin B 
Xerophilusin H 
Xerophilusin J 
Xerophilusin N 
Xerophilusin XII 
Xestoproxamine A, (rel)- 
Xestoproxamine B, (rel)- 
Xestoproxamine C, (rel)- 
xestospongin C  
XL147  
XL413 
XL765  
XPO1-IN-1 
xylarenone A, (rel)- 
Xylarenone C, (rel)- 
Xylarenone D 
xylarenone E 
xylitol +   
xylocarpin J 
Xylopimarane 
yadanziolide B 
yadanziolide T 
yadanziolide U 
yadanziolide V 
yahyaxanthone 
Yezoquinolide 
yinyanghuo A 
yinyanghuo B 
YK-4-279 
YM-216391 
YM-47141 
YM-47142 
YM-47522 
Ys-II 
Ys-IV 
Yuanhuadine 
yuccalan 
Yungensin A 
Yungensin B 
Yungensin C 
Yungensin D 
Yungensin E 
Yungensin F 
Yungensin G 
Yunnankadsurin B 
YXG-158 
Z-Adrienyne, (rel)- 
zaluzanin C 
zaluzanin D 
ZAPA 
zarzissine 
zeaenol 
zerumboneoxide 
zhankuic acid A +  
zhankuic acid B 
zhankuic acid C 
zibotentan 
zinc(2+) +   
zinolol 
ZM447439 
ZSTK-474 
zymosterol +   
zymosterol intermediate 2 

Synonyms
Exact Synonyms: 4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate
Related Synonyms: (2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester ;   5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine ;   Formula=C47H51NO14 ;   InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 ;   InChIKey=RCINICONZNJXQF-MZXODVADSA-N ;   SMILES=[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C ;   Taxol A ;   taxol
Alternate IDs: CHEBI:45862 ;   CHEBI:7887
Xrefs: CAS:33069-62-4 ;   DrugBank:DB01229 ;   Drug_Central:2044 ;   KEGG:C07394 ;   KEGG:D00491 ;   KNApSAcK:C00002365
Xref Mesh: MESH:D017239
Xrefs: PDBeChem:TA1 ;   Wikipedia:Paclitaxel

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