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Ontology Browser

Term:
Parent Terms Term With Siblings Child Terms
(+)-albicanol 
(+)-alpha-pinene 
(+)-alpha-tocopherol +   
(+)-aplysinillin 
(+)-dexrazoxane +   
(+)-dihydromyricetin  
(+)-flavipucine 
(+)-halomon 
(+)-jasplakinolide V 
(+)-jasplakinolide W 
(+)-jasplakinolide Z1 
(+)-jasplakinolide Z2 
(+)-jasplakinolide Z3 
(+)-jasplakinolide Z5 
(+)-lyoniresinol +  
(+)-sesamin +   
(+)-syringaresinol +   
(+)-tephrorin A 
(+)-tephrorin B 
(+)-tephrosone 
(-)-(S)-chlorizidine A 
(-)-anisomycin  
(-)-annonaine +  
(-)-antofine  
(-)-beta-elemene 
(-)-coronaridine +  
(-)-demecolcine  
(-)-duryne 
(-)-duryne B 
(-)-duryne C 
(-)-duryne D 
(-)-duryne E 
(-)-duryne F 
(-)-epigallocatechin 3-gallate  
(-)-flavipucine 
(-)-gallocatechin gallate 
(-)-jasplakinolide Z4 
(-)-marinopyrrole A 
(-)-noscapine  
(-)-trans-carveol 
(-)-voacangine 
(1,2-diaminocyclohexane)PtCl2 
(11Z)-icos-11-enoic acid +  
(11Z,14Z,17Z)-icosatrienoate 
(12R)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone 
(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 
(15Z)-tetracosenoate +  
(17Z)-hexacosenoic acid +  
(1R,2R,4S,5S,6R,7S)4,5-epoxygermacra-9Z-en-1,2,6-triol 
(1S)-1,23,25-trihydroxy-24-oxocalciol 
(1S)-1,25-dihydroxy-24-oxocalciol 
(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)-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 
(23S)-23,25,26-trihydroxycalciol +  
(24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA 
(24R)-24,25-dihydroxycalciol 
(24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA 
(24S)-24-hydroxycholesterol +   
(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)-2-benzylidene-3-(cyclohexylamino)indan-1-one 
(2E,4E)-deca-2,4-dienal 
(2R,3S)-2-methyl-3-propyloxirane 
(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)-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,3R)-3-hydroxybutane-1,2,3-tricarboxylate 
(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) 
(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 
(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)-citramalyl-CoA(5-) 
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone 
(3Z,6Z)-dodecadienoyl-CoA 
(4-hydroxy-3-methoxyphenyl)acetaldehyde 
(4-hydroxyphenyl)acetaldehyde 
(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)-7-methyldec-4-ene 
(4R)-4-[[(2S)-2-[[[2-(1-amino-2-methylbutyl)-4,5-dihydrothiazol-4-yl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid 
(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 +  
(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 
(5Z)-tetradecenoylcarnitine 
(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,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 
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate +  
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid +  
(9E)-10-nitrooctadecenoic acid 
(9E)-9-nitrooctadecenoic acid 
(9Z,11E,13Z)-octadecatrienoic 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 
(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)-3-tosylacrylonitrile 
(E)-4-oxonon-2-enal 
(E)-dec-3-en-2-ol 
(E)-hexadec-2-enoyl-CoA(4-) 
(E)-trans-miyabenol C 
(E,E)-germacrone  
(N(omega)-L-arginino)succinate(1-) 
(R)-2-hydroxy-4-methylpentanoate 
(R)-3-hydroxybutanoyl-CoA(4-) 
(R)-3-hydroxybutyrate +  
(R)-3-hydroxybutyric acid +  
(R)-3-hydroxylauric acid +  
(R)-4'-phosphonatopantothenate(3-) 
(R)-5-diphosphomevalonic acid 
(R)-5-phosphonatomevalonate(3-) 
(R)-adrenaline(1+) 
(R)-amygdalin  
(R)-bicalutamide +   
(R)-homocamptothecin +  
(R)-icosanoylcarnitine 
(R)-lactaldehyde 
(R)-lactic acid +   
(R)-methylmalonyl-CoA(5-) 
(R)-mevalonate 
(R)-noradrenaline(1+) 
(R)-oleoylcarnitine 
(R)-oleoylcarnitine hydrochloride 
(R)-propane-1,2-diol 
(R)-S-lactoylglutathionate(1-) 
(R)-S-lactoylglutathione 
(S)-2,3-epoxysqualene 
(S)-2-hydroxy-3-methylbutyrate 
(S)-2-hydroxy-3-methylbutyric acid 
(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)-carnitinium 
(S)-dihydroorotate 
(S)-dihydroorotic acid 
(S)-glaucine +   
(S)-lactaldehyde 
(S)-lactic acid +   
(S)-malate(2-) +  
(S)-methylmalonyl-CoA(5-) 
(S)-propane-1,2-diol +  
(Z)-2-octene 
(Z)-2-penten-1-ol 
(Z)-3-dodecene 
(Z)-3-octene 
(Z)-but-2-ene-1,2,3-tricarboxylate 
1'-acetoxychavicol acetate  
1,1,3,3-tetramethylurea 
1,2,3,4-tetrachlorobutane 
1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine 
1,2-diacyl-sn-glycero-3-phosphocholine(1+) +   
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 +  
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside 
1,4-butanediammonium 
1,4-dimethylcyclohexane +  
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 
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone 
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane 
1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone 
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 
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,9Z)-octadecadienyl]-sn-glycero-3-phosphocholine 
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-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine 
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-behenoylglycerol 
1-bromo-2-propanol 
1-chlorobutan-2-ol 
1-deoxysphinganine +  
1-docosene 
1-dodecene 
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-icosapentaenoyl-sn-glycero-3-phosphocholine 
1-iodo-2-methylundecane 
1-isothiocyanato-6-(methylsulfanyl)hexane 
1-linoleoyl-sn-glycero-3-phosphoethanolamine 
1-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion 
1-methyladenosine 
1-methylimidazole-4-acetaldehyde 
1-methylnicotinamide +   
1-methylpyrrolinium 
1-methyltryptophan  
1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine +   
1-O-all-trans-retinoyl-beta-glucuronic acid 
1-O-caffeoylquinic acid 
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine  
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-pentadecanoyl-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine 
1-pentadecyl-2-acetyl-sn-glycero-3-phosphocholine 
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-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine 
1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol 
1-stearoyl-sn-glycero-3-phosphocholine  
1-stearoyl-sn-glycero-3-phosphoethanolamine 
10-formyltetrahydrofolate(2-) 
10-hydroxycanthin-6-one 
10-nonadecenoate 
10-nonadecenoic acid +  
10-PAHSA 
10-PAHSA(1-) 
10058-F4 
11-cis-retinal +  
11-cis-retinol +  
11-cis-retinyl palmitate 
11-dehydro-thromboxane B2  
11-dehydrocorticosterone  
11-deoxycorticosterone +   
11-deoxycortisol  
11-epi-prostaglandin F2alpha +  
11-epi-prostaglandin F2alpha(1-) 
11-nitro-1-undecene 
11-oxo-ETE +  
11-oxotestosterone 
11-PAHSA 
11-PAHSA(1-) 
11beta-hydroxyandrost-4-ene-3,17-dione 
11beta-hydroxyprogesterone 
12(S)-HETE 
12(S)-HPETE(1-) 
12-deacetoxy-21-acetoxyscalarin 
12-HETE +  
12-hydroxylauric acid +   
12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide 
12-PAHSA 
12-PAHSA(1-) 
12alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid +  
13(S)-HODE 
13(S)-HPODE +  
13(S)-HPODE(1-) 
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-cis-retinal  
13-cis-retinol +  
13-deoxycarminomycin 
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid 
13-hydroxy-alpha-tocopherol 
13-PAHSA 
13-PAHSA(1-) 
14-demethyllanosterol +   
14-norpseurotin A 
15(S)-HETE 
15(S)-HPETE(1-) 
15-dehydro-prostaglandin E1(1-) 
15-dehydroprostaglandin A1 
15-ketoprostaglandin F1alpha(1-) 
15-O-deacetylnimbolidin B 
15-oxo-ETE +   
16,23-epoxy-5beta-cholestane triglycoside 
16-O-deacetyl-16-epi-scalarolbutenolide 
16alpha-hydroxydehydroepiandrosterone 
16alpha-hydroxyestrone +  
16alpha-hydroxypregnenolone 
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 
17-epi-17-hydroxyazadiradione 
17-phenyl-18,19,20-trinor-prostaglandin D2 
17-phenyl-18,19,20-trinor-prostaglandin E2 
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-hydroxycorticosterone 
18-hydroxyoctadecanoic acid +  
18-oxotryprostatin A 
1alpha,23(S),25-trihydroxyvitamin D3 
1alpha,2beta,25-trihydroxy vitamin D3 
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-) 
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',3'-cyclic UMP(1-) 
2',4'-dihydroxy-3'-(2-hydroxy benzyl)-6'-methoxy chalcone 
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'-hydroxybiochanin A 
2,2-dihydroxy-3-methylbutanoate 
2,3,3-trimethylpentane 
2,3,5,8-tetramethyldecane 
2,3,5-trimethylhexane 
2,3-bisphosphoglyceric acid +   
2,3-bisphosphonato-D-glycerate(5-) 
2,3-dihydro-3beta-O-sulfate withaferin A 
2,3-dihydroxybutanoic acid +  
2,3-diketogulonate 
2,3-epoxymenatetrenone 
2,4,4',6-tetrahydroxydibenzoylmethane 
2,4,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) 
2,4,6-trimethyldecane 
2,4-dihydroxy-6-methylbenzaldehyde 
2,4-dimethyl-1-heptene 
2,4-dimethylhexane 
2,4-dimethylpentan-3-amine 
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone 
2,5-diamino-6-ribosylamino-4(3H)pyrimidinone 5'-triphosphate 
2,5-dihydroxybenzaldehyde  
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 
2,7,10-trimethyldodecane 
2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran 
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid 
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-acetamido-2-deoxy-D-glucopyranose 1-phosphate +  
2-acetamido-5-oxopentanoate 
2-acetamidophenol  
2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid +  
2-amino-3-oxoadipic acid 
2-amino-3-phosphonopropanoic acid 
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid 
2-aminoacrylic acid +  
2-aminoethanesulfonate 
2-aminomuconate 6-semialdehyde(1-) 
2-aminomuconate(2-) 
2-aminooctanoic acid 
2-aminooctanoic acid zwitterion 
2-ammonio-2-deoxy-D-glucopyranose +  
2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-) +  
2-ammoniomuconate(1-) 
2-arachidonoylglycerol +   
2-butyl-1-octanol +  
2-cis,6-trans,10-trans-geranylgeranyl diphosphate 
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-D-ribofuranose 
2-deoxy-D-ribofuranose 1-phosphate(2-) 
2-deoxy-D-ribonate 
2-deoxy-D-ribonic acid 
2-deoxy-D-ribose +  
2-deoxy-D-ribose 5-phosphate(2-) 
2-ethylhydracrylate 
2-ethylhydracrylic acid 
2-fluoroadenine +  
2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine +  
2-hydroxy-17beta-estradiol +   
2-hydroxy-3-methylbutyrate 
2-hydroxy-3-methylbutyric acid +  
2-hydroxyacrylic acid 
2-hydroxybutyrate +  
2-hydroxybutyric acid +  
2-hydroxyestrone +   
2-hydroxyglutaramic acid 
2-hydroxyhexadecanoate +  
2-hydroxyhexadecanoic acid +  
2-hydroxylinoleic acid 
2-hydroxymelatonin 
2-hydroxyoctadecanoate +  
2-hydroxyoctadecanoic acid +  
2-hydroxyoleic acid 
2-hydroxyphytanoyl-CoA(4-) 
2-isopropyl-5-methyl-1-heptanol 
2-isopropylaminoethylamine 
2-linoleoyl-sn-glycero-3-phosphoethanolamine 
2-methoxy-17beta-estradiol +   
2-methoxyestrone +   
2-methyl-1,3-thiazolidine-2-carboxamide 
2-methyl-1-pentene 
2-methyl-3-ketovaleric acid 
2-methyl-3-oxopropanoate +  
2-methyl-3-sulfanylbutan-1-ol 
2-methylacetoacetyl-CoA(4-) 
2-methylbutan-2-amine 
2-methylbutanoyl-CoA(4-) +  
2-methylbutyric acid +   
2-methylbutyrylcarnitine +  
2-methylcitrate(3-) +  
2-methylcrotonoyl-CoA(4-) 
2-methylerythritol 
2-methylhexenoyl-CoA 
2-methyltridecane 
2-octene +  
2-oxoadipate(2-) 
2-oxoadipic acid  
2-oxobutanoate 
2-oxoglutaramate +  
2-oxoglutarate(2-) 
2-oxopentanoic acid 
2-phenylethanaminium 
2-phenylethylamine +   
2-phospho-D-glyceric acid 
2-phosphonato-D-glycerate(3-) 
2-phosphonatoglycolate(3-) 
2-stearoyl-sn-glycero-3-phosphocholine 
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(S),25-dihydroxyvitamin D3 
20-epi-bryonolic acid 
20-HETE +   
20-hydroxy-leukotriene B4 
20-hydroxy-leukotriene B4(1-) 
20-hydroxy-leukotriene E4(1-) 
20-hydroxycholesterol  
20-hydroxytubocapsanolide A 
23(S),25-dihydroxy-24-oxovitamin D3 
23,24-dimethylcholest-16(17)-E-en-3beta,5alpha,6beta,20(S)-tetrol 
23-hydroxytubocapsanolide A 
24,25-dihydrolanosterol +   
25-hydroxycholesterol  
25-O-methoxycimigenol 3-O-alpha-L-arabinopyranoside 
26-hydroxycholesterol +   
28-deoxonimbolide  
2alpha-(2'-pyrrolyl)-4alpha-methoxycarbonyl-5beta-[(2''-methyl)-heptyl]-1,3-oxazacyclohexane 
2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 
2beta-hydroxytestosterone 
2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate 
2beta-methoxy-2-deethoxyphantomolin 
3',4',5-trihydroxy-3,6,7-trimethoxyflavone 
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'-AMP 
3'-AMP(2-) 
3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin  
3'-dephospho-CoA 
3'-dephospho-CoA(2-) 
3'-phosphonato-5'-adenylyl sulfate(4-) 
3'-UMP(2-) 
3,17-dioxoandrost-4-en-19-al 
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 
3,4'-dimethylkaempferol 
3,4-dihydroxybenzoic acid +   
3,4-dihydroxybutyric acid 
3,4-dihydroxymandelate 
3,4-dihydroxymandelic acid  
3,4-dihydroxyphenylacetaldehyde  
3,5-di-O-caffeoyl quinic acid +  
3,5-dihydroxy-2-(1'-oxo-3'-hexadecenyl)-2-cyclohexene-1-one 
3,5-diiodo-L-tyrosinate(1-) 
3,5-diiodo-L-tyrosine +  
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside 
3,5-dimethyloctane 
3,5-dioxooctanedioic acid 
3,7,11-trimethyldodecan-1-ol 
3,7-dihydroxytropolone 
3,7-dimethyl-3-octanol 
3,8-dimethylundecane 
3-(1H-indol-3-yl)propanoate 
3-(1H-indol-3-yl)propanoic acid  
3-(2-methylpropyl)cyclohexene 
3-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine 
3-(4-hydroxyphenyl)lactate +  
3-(4-hydroxyphenyl)lactic acid +  
3-(4-hydroxyphenyl)pyruvate 
3-(imidazol-5-yl)lactic acid +  
3-(indol-3-yl)lactate 
3-(indol-3-yl)lactic acid  
3-(methylthio)propionate 
3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid  
3-acetamino-6-isobutyl-2,5-dioxopiperazine 
3-aminopiperidine-2-one 
3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid 
3-bromopyruvic acid  
3-carboxy-1-hydroxypropylthiamine diphosphate 
3-carboxy-4-methyl-5-propyl-2-furanpropanoate 
3-chloro-L-tyrosine 
3-cyano-L-alanine +  
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-disulfanyl-L-alanine +  
3-epi-heliangin 
3-ethylpentane 
3-fucosyllactose +  
3-furoic acid +  
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone 
3-hydroxy-2-methylpropanoyl-CoA(4-) 
3-hydroxy-3-methylglutarate(1-) 
3-hydroxy-3-methylglutarate(2-) 
3-hydroxy-3-methylglutaric acid +  
3-hydroxy-3-methylhexanoic acid +  
3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine 
3-hydroxyanthranilate 
3-hydroxyanthranilic acid 
3-hydroxybutyrate +  
3-hydroxybutyric acid +   
3-hydroxydocosanoyl-CoA +  
3-hydroxyicosanoyl-CoA +  
3-hydroxyisobutyrate +  
3-hydroxyisovalerate 
3-hydroxyisovaleric acid +   
3-hydroxyisovalerylcarnitine 
3-hydroxykynurenine +   
3-hydroxymandelic acid 
3-hydroxyoctadecanoyl-CoA +  
3-hydroxyphenylpyruvic acid 
3-hydroxypropanoyl-CoA(4-) 
3-hydroxypropionate 
3-hydroxypropionic acid +   
3-hydroxypyruvate 
3-hydroxypyruvic acid  
3-hydroxytetracosanoyl-CoA 
3-hydroxytetradecanoic acid +  
3-iodo-L-tyrosine +  
3-keto-beta-D-galactose 
3-mercaptopentanol 
3-mercaptopyruvate 
3-mercaptopyruvic acid 
3-methoxy-3-methylhexane 
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-methyladenine  
3-methylbut-2-enoyl-CoA(4-) 
3-methyleneheptane 
3-methylguanine +  
3-methylhexane 
3-methylhistidine 
3-methylhistidine zwitterion 
3-methylmalate(2-) 
3-methylmalic acid +  
3-methylpentane 
3-O-beta-D-galactopyranosyl-sn-glycerol 
3-O-feruloylcycloartenol 
3-O-methyldopa 
3-O-methyldopa zwitterion 
3-oxoadipic acid +  
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-penten-1-yne +  
3-phenyllactic acid +  
3-phenylpropionate 
3-phenylpropionic acid +   
3-phosphonato-D-glycerate(3-) 
3-phosphonato-D-glyceroyl phosphate(4-) 
3-phosphonatooxypyruvate(3-) 
3-sulfino-L-alanine +  
3-sulfino-L-alanine(1-) +  
3-sulfinylpyruvic acid 
3-sulfonatopyruvate(2-) 
3-ureidoisobutyric acid 
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-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-hydroxy-5beta-androstan-17-one +   
3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid 
3alpha-hydroxy-5beta-pregnan-20-one  
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,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-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 
3PO 
4''-dehydro-3-hydroxyterphenyllin 
4',5'-dihydro-11,5'-dihydroxy-4'-methoxytephrosin 
4',5,7-trihydroxy-3'-methoxyflavone +   
4'-demethyldeoxypodophyllotoxin 
4'-demethylepipodophyllotoxin +   
4'-epidoxorubicin  
4'-hydroxychalcone  
4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol  
4,5,9,10-dehydroisolongifolene 
4,6,8-trimethyl-1-nonene 
4,6-dimethyldodecane 
4,6-dimethylundecane 
4,6-dioxoheptanoic acid  
4,8,12-trimethyltridecanoyl-CoA(4-) 
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide 
4-(2-aminophenyl)-2,4-dioxobutanoate 
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-ammoniobutanal 
4-coumaroyl-CoA(4-) +  
4-ethylphenyl sulfate 
4-ethylphenyl sulfate(1-) 
4-fumarylacetoacetate(2-) 
4-hydroperoxycyclophosphamide  
4-hydroxy-2-oxoglutarate(2-) +  
4-hydroxy-L-prolinate 
4-hydroxy-L-proline zwitterion 
4-hydroxycinnamaldehyde 
4-hydroxynon-2-enal +   
4-hydroxyphenyl retinamide  
4-hydroxyphenylacetate 
4-hydroxyphenylacetic acid +   
4-hydroxyphenylpyruvic acid +  
4-hydroxyproline +  
4-iodo-6-phenylpyrimidine 
4-maleylacetoacetate 
4-methoxy-17beta-estradiol +   
4-methoxyestrone +  
4-methoxymagnaldehyde B 
4-methyl-2-oxopentanoate 
4-methyl-2-oxopentanoic acid  
4-methyl-5-pentylbenzene-1,3-diol 
4-methylaeruginoic acid 
4-methylcatechol +   
4-methylpentanal  
4-methylthio-2-oxobutanoate +  
4-methylumbelliferone +   
4-methylumbelliferone beta-D-glucuronide  
4-methylundecane 
4-nitrophenyl hydrogen sulfate  
4-oxobutanoate 
4-phenylbutyric acid  
4-pyridoxate 
4-pyridoxic acid +   
4-terpineol +   
4-trimethylammoniobutanal 
4a-hydroxytetrahydrobiopterin +  
4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol 
4alpha-formyl-5alpha-cholest-8-en-3beta-ol 
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-hydroxycholesterol  
4beta-methylzymosterol-4-carbaldehyde 
5'-acetylphosphoadenosine 
5'-adenylyl sulfate(2-) 
5'-deoxyadenosine 
5'-S-methyl-5'-thioadenosine  
5'-xanthylate(2-) 
5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid 
5(S)-HETE 
5(S)-HPETE(1-) 
5,6,7,8-tetrahydrobiopterin +   
5,6-dihydrothymine 
5,6-dihydrouracil 
5,6-dihydroxyindole-2-carboxylate 
5,6-dimethylbenzimidazole 
5,6-epoxyretinoic acid +  
5,6-trans-vitamin D3 
5,7,3'-trihydroxy-4'-methoxy-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone 
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-[2-(feruloyl)ethen-1-yl]thalidomide 
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-aminopentanoic acid +  
5-azacytidine  
5-bromo-2'-deoxyuridine  
5-bromo-8-methoxy-1-methyl-beta-carboline 
5-chloro-7-iodoquinolin-8-ol  
5-diphospho-1D-myo-inositol pentakisphosphate 
5-dodecenoate 
5-dodecenoic acid +  
5-fluorouracil  
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 
5-formimidoyltetrahydrofolate(2-) 
5-formyluracil 
5-guanidino-2-oxopentanoic acid 
5-heptadecylresorcinol 
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-methoxy-2-methylchromone-7-O-rutinoside 
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-hydroxytryptophan +   
5-methylcytosine +   
5-methyldec-1-ene 
5-methyltetrahydrofolate(2-) 
5-O-ethyl embelin 
5-O-methyl embelin 
5-O-phosphonato-alpha-D-ribofuranosyl diphosphate(5-) 
5-O-phosphono-alpha-D-ribofuranosyl diphosphate 
5-oxo-ETE  
5-oxoprolinate +  
5-oxoproline +   
5-PAHSA 
5-PAHSA(1-) 
5-phospho-beta-D-ribosylaminium(1-) 
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-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'-O-galloylalbiflorin 
6,7-dihydrobiopterin +  
6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole 
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol +  
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-amino-2-oxohexanoic acid +  
6-anilino-5,8-quinolinedione  
6-azauridine +   
6-azauridine 5'-monophosphate 
6-azauridine 5'-monophosphate(2-) 
6-diazo-5-oxo-L-norleucine 
6-hydroxymethyladenine 
6-hydroxypaclitaxel  
6-lactoyl-5,6,7,8-tetrahydropterin +  
6-methoxyspirotryprostatin B 
6-methyladenine 
6-O-phosphonato-D-glucono-1,5-lactone(2-) 
6-oxoprostaglandin F1alpha  
6beta-hydroxycortisol  
6beta-hydroxycortisone 
6beta-hydroxytestosterone +   
7,3',4'-trihydroxy-3,8-dimethoxyflavone 
7,8-dehydrocerberin 
7,8-dihydroneopterin +  
7,8-dihydroneopterin 3'-triphosphate(4-) 
7,8-dihydroxyflavanone 
7,8-dihydroxyflavone 
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-deacetyl-7-benzoylgedunin 
7-dehydrodesmosterol 
7-methoxydeoxymorellin 
7-methylguanine +   
7-nor-ergosterolide 
7-oxo-3,8,9-trihydroxy staurosporine 
7-oxo-5alpha-cholestan-3beta-ol 
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine 
7-oxolithocholic acid +   
7-PAHSA 
7-PAHSA(1-) 
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  
8,8a-epoxymorellic acid 
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine 
8-acetoxy-4,10-dihydroxy-2,11(13)-guaiadiene-12,6-olide 
8-aminooctanoic acid 
8-azaguanine +   
8-epi-prostaglandin E2  
8-hydroxy-2-(1'-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione 
8-hydroxyadenine 
8-nitroguanosine 3',5'-cyclic monophosphate 
8-oxoadenine 
8-PAHSA 
8-PAHSA(1-) 
8-PIP-cAMP 
9(11)-dehydroaxinysterol 
9(S)-HPODE 
9,10-epoxyoctadecanoic acid +  
9-beta-D-arabinofuranosylguanine +  
9-cis-retinoate 
9-cis-retinoic acid +   
9-deacetoxyfumigaclavine C 
9-HODE +   
9-hydroxy hedychenone 
9-hydroxycanthin-6-one  
9-hydroxyellipticine  
9-methoxycanthin-6-one 
9-PAHSA 
9-PAHSA(1-) 
9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one 
9E,11E-octadecadienoic acid +   
9H-purine-2,6-diamine +  
[des-Phe(8), des-Arg(9)]-bradykinin 
[Hyp(3)]-bradykinin 
[Pyr1]apelin-12(2+) 
[Pyr1]apelin-13(2+) 
A2-32-01 
A2-58-06 
abarelix 
abiraterone +   
abiraterone acetate 
ABT-737 
abyssinone A 
abyssinone C 
abyssinone D 
Ac-Asp-Glu  
Ac-Asp-Lys-Ala-Thr-Ile-Gly-Phe-Glu-Val-Gln-Glu-Glu 
Ac-Asp-N(6)-(4-bromobenzoyl)-KATIGFEVQEE 
Ac-Asp-N(6)-(5-chloropentanoyl)-KATIGFEVQEE 
Ac-Asp-N(6)-(6-bromohexanoyl)-KATIGFEVQEE 
Ac-Asp-N(6)-(chloroacetyl)-KATIGFEVQEE 
Ac-Asp-N(6)-(octanoyl)-KATIGFEVQEE 
Ac-Asp-N(6)-[(2,2,2-trifluoroethoxy)acetyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[(2-iodophenyl)carbonyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[(2E)-3-(m-tolyl)prop-2-enoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[2-(trifluoromethyl)benzoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[3-(trifluoromethyl)benzoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-[4-(trifluoromethyl)benzoyl]-KATIGFEVQEE 
Ac-Asp-N(6)-\{(2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl\}-KATIGFEVQEE 
Ac-Asp-N(6)-\{(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl\}-KATIGFEVQEE 
Ac-Asp-N(6)-\{(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl\}-KATIGFEVQEE 
Ac-Asp-N(6)-\{3-[2-(trifluoromethyl)phenyl]propanoyl\}-KATIGFEVQEE 
acadesine +   
acalabrutinib  
acetaldehyde +   
acetate +   
acetoacetate 
acetoacetyl-CoA(4-) 
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 
acriflavinium chloride 
acronycine 
acrylate +   
acryloyl-CoA(4-) 
actinodaphnine 
aculeatol E 
acumitin 
acyl-carrier protein +  
acylglycerone phosphate +  
adenine +   
adenine arabinoside +   
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 +   
AEE788 
afamelanotide  
afatinib +   
afatinib dimaleate 
afimoxifene  
aflatoxin B1 +   
aflatoxin B1 exo-8,9-epoxide  
agathisflavone  
ageladine A  
agigenin +  
aglaiabbreviatin F 
agmatinium(2+) 
AICA ribonucleotide  
AKI00000020a 
aklavinone +   
alantolactone +   
alatolide 
albiglutide 
albizoside A 
albizoside B 
albizoside C 
aldehydo-D-xylose +  
aldehydo-L-iduronate 
aldehydo-N-acetyl-D-glucosamine 
aldehydo-N-acetyl-D-mannosamine 
aldosterone +   
alectinib  
alectinib hydrochloride 
alfuzosin +   
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 
allocholic acid +  
allyl isothiocyanate  
allyl octadecyl oxalate 
Aloe emodin  
alpha,alpha-trehalose +   
alpha-(4-hydroxyphenyl)-N-tert-butylnitrone 
alpha-aminobutyrate 
alpha-aminobutyric acid +  
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-ribofuranose 5-phosphate 
alpha-D-ribose 1-phosphate(2-) 
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-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-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 
alsterpaullone  
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  
AMG-208 
AMG-925 
aminoglutethimide +   
aminomalonic acid  
ammonioacetone 
ammonium +   
amomol A 
amoxicilloyl polylysine 
amrubicin +  
amrubicinol 
amsacrine  
amyloid-beta +  
anastrozole +   
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 +   
angiotensin (1-9) 
angiotensin (1-9) dizwitterion 
angiotensin I 
angiotensin I dizwitterion 
angiotensin-(1-5) dizwitterion 
ansamitocin P3 
anthramycin 
anthranilate +  
anthranilic acid +   
antimony trichloride  
antroquinonol  
apelin-12 
apelin-13 
apelin-16(6+) 
apelin-17(6+) 
aphidicolin  
apigenin +   
aplysinoplide A 
aplysinoplide B 
aplysinoplide C 
apo-[acyl-carrier protein] 
apratoxin A 
apratoxin D 
apratoxin E 
aquacob(III)alamin 
arabinitol +  
arachidonate +   
arachidonic acid +   
arachidonoyl-CoA(4-) 
ardisianoside A 
ardisianoside B 
ardisianoside C 
ardisianoside D 
ardisianoside E 
ardisiphenol A 
ardisiphenol B 
ardisiphenol C 
arenamide A 
arenamide B 
arglabin +  
arotinoid acid  
Arthrofactin 
artocarpin 
artochamin C 
artoindonesianin E1 
artoindonesianin P 
AS-I-145 
AS1842856 
ascochlorin 
ascofuranone 
ASP-3026 
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 
asperfuranone 
aspergillide A 
aspergillide B 
aspergillide C 
asperphenamate  
asprellic acid A 
asprellic acid C 
astressin  
astressin 2B  
asukamycin 
AT7867 
ATP(3-) 
ATP(4-) +  
atromentin 
auraptene  
aureothin 
austocystin D 
avenanthramide B 
axitinib  
azadirone +  
azaserine 
azathioprine  
AZD-1152 +  
AZD-8055 
AZD1080 
AZD2858 
AZD3463 
AZT-1152 
bacitracin A +   
bafilomycin A1  
BAR0329 
bassianolide 
BCI-215 
BDA-366 
BE-54238A 
BE-54238B 
beauvericin  
behenate +  
belinostat  
benzothiazine +   
benzylpenicilloyl polylysine 
berberine  
berkeleydione 
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-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-mannosyldiacetylchitobiosyldiphosphodolichol 
beta-elemene +  
beta-endorphin  
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-lapachone  
beta-leucine +  
beta-peltatin 
beta-thujaplicin  
betaine aldehyde 
betulin +   
betulinic acid +   
bexarotene  
BF 4 
BF 5 
BF 6 
BGJ-398 
BGT226 
BGT226 free base 
bianfugenine 
bicalutamide  
bielschowskysin 
bigelovin 
BIIB021 
bilirubin IXalpha  
bilirubin(2-) 
biliverdin +   
biliverdin hydrochloride 
biliverdin(2-) 
binimetinib 
biochanin A +   
biotin +   
biotin amide 
biotinate +  
biotinyl-5'-AMP 
bis(2-methylundecan-2-yl) disulfide 
bis(beta-glucosyluronate)bilirubin 
bis(S-citronellalthiosemicarbazonato)nickel(II) 
bisantrene 
bistratamide E 
bistratamide F 
bistratamide G 
bistratamide H 
bistratamide I 
bistratamide J 
bivalirudin  
bixin +   
BKM120 
bleomycin A2  
bleomycin A5  
bleomycin B2 
bleomycin hydrochloride 
BML-210 
BMS-214662 
BMS-754807  
borrelidin  
bortezomib  
bosutinib +   
bosutinib hydrate 
bowdichione 
BPDZ 711 
brasilicardin A 
brasiliquinone A 
brasiliquinone B 
brasiliquinone C 
brasixanthone B 
brasixanthone C 
brasixanthone D 
brassicasterol +  
brazilein  
brazilin  
brevipolide A 
brevipolide B 
brexanolone 
breynceanothanolic acid 
brivanib +  
brivanib alaninate 
bromophycolide A 
bromotopsentin 
bruceanol D 
bruceanol E 
bruceanol F 
bruceine D 
bruceolide +  
bryostatin 1  
bryostatin 2  
bufalin  
burseran 
busulfan  
butan-1-ol +   
butein  
butyl hexanoate 
butyrate +   
butyryl-CoA(4-) 
C646  
cabazitaxel  
cabergoline  
cabozantinib +   
cabozantinib malate 
cadiyenol 
caerulomycin A 
caerulomycin C 
caerulomycin F 
caerulomycin G 
caerulomycin H 
caerulomycin I 
caerulomycin J 
caerulomycin K 
caerulomycinamide 
caerulomycinonitrile 
cafestol  
calcidiol +   
calciol +   
calcitetrol 
calcitonin  
calcitonin (human synthetic) 
calcitonin (pork natural) 
calcitriol +   
calcium(2+) +   
calicheamicin gamma1(I) 
callophycoic acid A 
callophycoic acid C 
callophycoic acid D 
callophycoic acid E 
callophycoic acid F 
callophycoic acid G 
callophycoic acid H 
callophycol A 
callophycol B 
calotropone 
calpastatin peptide Ac 184-210 
camostat  
camostat mesylate 
camptothecin  
canertinib  
cannabigerol  
cantharidic acid  
capecitabine  
capilliposide B 
carbamoyl phosphate(2-) 
carbon dioxide  
carbon monoxide  
carbonarone A 
carboplatin  
carboxyacetyl-[acyl-carrier protein] 
cardiolipin +  
cardivin A 
cardivin B 
cardivin C 
cardivin D 
carfilzomib  
carminomycin +  
carmustine  
carnitine +   
carnitinium +  
carnosic acid  
carnosine +   
carperitide 
caseamemebrol A 
caseamemebrol B 
caseanigrescen A 
caseanigrescen B 
caseanigrescen C 
caseanigrescen D 
casticin  
cathelicidin +   
caudatin-3-O-beta-cymaropyranoside 
CBL0137 
CCT-018159 
CCT251545 
CD437 +   
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-) 
celastrol  
celebixanthone +  
cembra-2,7,11-triene-4,6-diol 
centaureidin 
cerberin 
ceritinib  
cerotate +  
cetrorelix +   
cetrorelix acetate 
CG-1521 
CGP-42112A  
CGS 15943  
CH5126766 
chaetoglobosin B 
chaetoglobosin D 
chaetoglobosin E 
chaetoglobosin F 
chaetoglobosin G 
chaetoglobosin J 
chaetoglobosin L 
chaetoglobosin Q 
chaetoglobosin T 
chelerythrine  
chenodeoxycholate +  
chenodeoxycholic acid +   
chenodeoxycholoyl-CoA 
CHIR-98014  
chitin  
chlorambucil  
chloride +   
chlorotrianisene  
cholate +   
cholest-4-en-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 
chrysazin +   
chrysin +   
chrysosplenol C 
CHZ868 
cidofovir anhydrous +   
cidofovir dihydrate 
CIGB-300 
ciglitazone  
ciliatamide B 
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-3-hydroxy-D-proline 
cis-9-nonadecenoic acid 
cis-aconitate(3-) 
cis-dodec-3-enoyl-CoA(4-) 
cis-resveratrol 3-O-glucuronide 
cisplatin  
citraconic acid  
citramalate(2-) +  
citramalic acid +  
cladoniamide G 
cladribine  
clavulone II  
clethroidoside C 
clethroidoside D 
clethroidoside F 
clionastatin A 
clionastatin B 
clodronic acid  
clofarabine  
clofibric acid +   
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 
cochinchinoxanthone 
coenzyme A(4-) +  
coenzyme Q10  
colpol 
columbianadin 
comazaphilone D 
comazaphilone E 
comazaphilone F 
coproporphyrin I 
coproporphyrin III 
coproporphyrinogen I 
coproporphyrinogen III(4-) 
cordycepin triphosphate 
cordyol C 
corticorelin 
corticosterone +   
corticotropin  
corticotropin-releasing hormone +   
cortisol +   
cortisol 21-sulfate 
cortisone +   
corynoline 
costunolide +   
cosyntropin  
coumarin +   
coumermycin A1 
CP-724714 
crassolide 
crassumolide A 
cratoxyarborenone A 
cratoxyarborenone B 
cratoxyarborenone C 
cratoxyarborenone D 
cratoxyarborenone E 
cratoxyarborenone F 
creatine +   
creatinine  
crenolanib 
crizotinib +   
crotonoyl-CoA(4-) 
cryptolepine  
cryptopleurine 
CTP(4-) +  
cucurbitacin E 2-O-beta-D-glucopyranoside 
cucurbitacin I +   
cudraflavone C 
cudratricusxanthone A 
cumingianoside A 
cumingianoside B 
cumingianoside C 
cumingianoside D 
cumingianoside E 
cumingianoside F 
curacozole 
curcumin +   
CX-5461 
cyanate +   
cyanophycin macromolecule +  
cyclodepsipeptide 2 
cyclophosphamide +   
cyclophosphamide hydrate 
cyclotetradecane +   
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 D  
cytoglobosin C 
cytoglobosin D 
cytosine +   
cytotrienin A 
D-alaninate 
D-alanine +   
D-alaninium 
D-argininium(1+) +  
D-aspartate(1-) +  
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-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-N-acylsphingosine +  
D-glucuronate +  
D-glucuronate 1-phosphate 
D-glucurono-6,3-lactone  
D-glyceraldehyde +   
D-kynurenine 
D-mannitol 1-phosphate 
D-mannose 1-phosphate +  
D-o-tyrosine +  
D-ornithinium(1+) 
D-pipecolate 
D-pipecolic acid 
D-prolinate 
D-prolinium +  
D-prolinol 
D-ribose +   
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-) 
daidzein +   
daidzein(1-) 
daphnoretin 
dasatinib (anhydrous) +  
dasatinib monohydrate 
DASKALRSSGMP 
dATP(4-) 
daunorubicin +   
dCDP 
dCDP(3-) +  
dCTP +   
deacetyltanghinin 
deamido-NAD(+) +   
debrisoquin +   
decane-1,2-diol 
decanoate +  
decanoic acid +   
decanoyl-[acyl-carrier protein] 
decanoyl-CoA(4-) +  
decursinol 
defensin +  
degarelix 
dehydroascorbide(1-) 
dehydrocostus lactone  
dehydroepiandrosterone +   
dehydroepiandrosterone sulfate  
dehydroepiandrosterone sulfate(1-) +  
DEL-22379 
delanzomib 
delphinidin +   
delphinidin 3-O-beta-D-sambubioside 
delphinidin(1-) 
Delta(12)-prostaglandin J3 
delta-elemene 
demethoxycurcumin  
deoxycholate +  
deoxycholoyl-CoA(4-) 
deoxyhypusine +  
deoxypodophyllotoxin  
deoxyribonucleic acid +  
dequalinium +   
dequalinium chloride 
dermaseptin s3(1-16)-NH2 
desferrioxamine E 
desirudin 
desmosterol +   
devazepide  
dexamethasone +   
dexormaplatin 
dexrazoxane hydrochloride 
dGDP(3-) 
dGTP  
DH334 
DH334(1+) +  
diallyl disulfide  
diallyl trisulfide  
dianversicoside A 
dianversicoside B 
dianversicoside C 
dianversicoside D 
dianversicoside E 
dianversicoside F 
dianversicoside G 
diarsenic trioxide  
diazepinomicin 
diaziquone  
diazomethane 
dibenzo[a,l]pyrene  
dibenzoylmethane +   
dibromoacetic acid  
dicerandrol A 
dicerandrol B 
dicerandrol C 
diethylstilbestrol +   
diflomotecan 
diglyceride +   
dihomolinoleate 
dihomolinoleic acid +  
dihydrofolate(2-) 
dihydrogen +   
dihydrolipoamide +   
dihydrolipoate +  
dihydrolipoic acid +   
dihydrolipoylprotein 
dihydromotuporamine C 
dihydroxyacetone +   
dihydroxyacetone phosphate  
dilopholide 
dinochrome A 
dioscin  
diosgenin +   
diosmetin +   
dioxygen +   
diphosphate(3-) +  
diplotrin B 
disodium cytidine 5'-monophosphate 
disulfiram  
dITP(4-) 
diuvaretin 
DKATIGFEVQEE 
DMH1 
docetaxel anhydrous +  
docetaxel trihydrate 
docosahexaenoic acid +   
dodecamethylpentasiloxane 
dodecanedioate(2-) 
dodecanedioic acid +   
dolastatin 10 
dolichol +   
dolichyl beta-D-glucosyl phosphate 
dolichyl D-mannosyl phosphate +  
dolichyl diphosphate 
dolichyl phosphate(2-) 
dopa +   
dopamine +   
dopaminium(1+) 
doxazosin +   
doxifluridine  
dromostanolone propionate 
DSGEGDFLAEGGGVR 
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-L-rhamnose +  
dTMP(2-) +  
dTTP(4-) 
dUDP(3-) 
dUMP(2-) +  
dUTP +  
dynorphin A-(1-12)(4+) 
dynorphin A-(1-13)(5+) 
dyspropterin +  
E-3810 
E-3810 free base 
ebselen  
ecgoninium methyl ester(1+) 
edelfosine  
EG00229 
ekatetrone 
elaeodendroside B 
elaeodendroside F 
elaeodendroside G 
elaeodendroside T 
elaeodendroside U 
elaeodendroside W 
elaidylphosphocholine 
elcatonin 
elephantin 
elesclomol +   
elesclomol-Cu(II) 
elf18 
elisidepsin 
ellipticine  
elongatol A 
elongatol E 
emarginatine B 
emarginatine F 
embelin +   
emetine +   
emetine dihydrochloride +  
emetine dihydrochloride hydrate 
emodin +   
emodin(1-) 
enasidenib 
enfuvirtide  
englerin A 
ENPAVHFFKNIVTPRTP 
ENPVVAFFKNIVTPRTP 
ENPVVHFFFNIVTPRTP 
ENPVVHFFKNIVTPRTP 
ENPVVHFFYNIVTPRTP 
enrofloxacin  
ent-kaur-16-en-19-oic acid 
entinostat +   
enzalutamide 
epi-silvestrol 
epi-tulipinolide 
epiandrosterone +  
epiandrosterone sulfate 
epiandrosterone sulfate(1-) 
epidihydrocholesterin 
epitestosterone +   
epothilone A  
epothilone B  
erdasporine A 
erdasporine B +  
erdasporine C 
ergolide 
ergosterol peroxide  
eribulin 
eribulin mesylate 
erlotinib +   
erlotinib hydrochloride  
erucamide  
erybraedin A 
erythritol +  
erythro-4-hydroxy-L-glutamate(1-) 
erythro-5-hydroxy-L-lysine 
erythro-5-hydroxy-L-lysinium(1+) 
erythronate +  
erythronic acid +  
esculeoside A 
esperamicin A1 
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-) 
etanidazole  
ethanol +   
ethanolamine +   
ethanolaminium(1+) +  
ethoxide +  
ethyl 2-methylbutyrate 
ethyl 3,4-dihydroxybenzoate  
ethyl cyclohexanecarboxylate 
ethyl linolenate 
ethyl methanesulfonate  
ethyl phenylglyoxylate 
ethyl trans-caffeate  
ethylamine +   
ethylmalonic acid +   
etidronate disodium 
etidronic acid  
etoposide  
eucalyptal A 
eucalyptal B 
eucalyptal C 
eugeniin 
eupaheliangolide A 
eupatilin  
eupatolide 
eupatorin  
euphornin L 
eurycomanone  
eurysterol A 
eurysterol A sulfonic acid 
eurysterol B 
eurysterol B sulfonic acid 
everolimus  
exemestane  
exendin-3 
exendin-4 
F390B 
F390C 
FAD  
FADH2(2-) +  
fangchinoline  
Fasnall 
fazarabine 
FD-211 
ferricytochrome b5 
ferricytochrome c +  
ferrocytochrome c +  
ferroheme b +   
ferruginol +  
fingolimod +  
fingolimod phosphate 
firocoxib 
flavokawain B  
floxuridine  
fluazinam  
fludarabine phosphate 
fluoxymesterone  
flutamide  
FMN +   
FMN(3-) +  
folic acid +   
formate +  
formestane  
formycin A +  
formyl-CoA(4-) 
fostriecin  
fotemustine  
FPAWFTKLYPRT 
FR901463 
FR901464 
FR901465 
fraxetin +   
fructosylglycine 
fruticoside A 
fucoidan  
fulvestrant  
fumarate(2-) +  
fusarithioamide A 
fuzanin D 
FX1 
G-573 
galactarate(1-) 
galactarate(2-) 
galactaric acid +   
galactitol +  
galactonic acid +  
galactoxylomannan 
gallic acid +   
gamma-aminobutyrate +   
gamma-aminobutyric acid +   
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-tocotrienol 
ganirelix  
GANT61 
gartanin 
gastrin +   
gastrin-17  
gaudichaudiic acid F 
gaudichaudiic acid G 
gaudichaudiic acid H 
gaudichaudiic acid I 
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 +   
geldanamycin +   
gelomulide K 
gelomulide M 
gemcitabine +   
gemcitabine hydrochloride 
gemini-0072 
gemini-0097 
genistein +   
gentisyl alcohol 
geranyl diphosphate(3-) 
geranyl phosphate 
ghrelin  
A 28-membered appetite-stimulating polypeptide consisting of Gly, Ser, Ser(octanoyl), Phe, Leu, Ser, Pro, Glu, His, Gln, Arg, Val, Gln, Gln, Arg, Lys, Glu, Ser, Lys, Lys, Pro, Pro, Ala, Lys, Leu, Gln, Pro and Arg residues joined in sequence. The O-n-octanoylation of the side-chain hydroxy group of serine-3 (Ser3) is essential for ghrelin's activity.
GI254023X 
gibberellin A1(1-) 
gibberosin K 
gibberosin L 
gigantetronenin 
gigantrionenin 
gilteritinib 
gilvusmycin 
gingerol  
ginkgetin  
ginkgolide B  
ginsenoside C-K  
ginsenoside F2  
ginsenoside Mc 
ginsenoside Mx 
ginsenoside Rd +   
ginsenoside Re  
ginsenoside Rf  
glasdegib 
glionitrin A 
globostellatic acid A 
globostellatic acid B 
globostellatic acid C 
globostellatic acid D 
globosumone A 
globosumone B 
globosuxanthone A 
glochierioside A 
glochierioside B 
Glu-Cys 
Glu-Trp 
glucagon  
glucarate(2-) +  
glucaric acid +   
glucuronic acid +   
glutaconate(2-) +  
glutaconic acid +  
glutarate(1-) +  
glutarate(2-) +  
glutaric acid +   
glutaryl-CoA(5-) 
glutathionate(1-) +  
glutathione +   
glutathione disulfide(2-) 
glutaurine 
Gly-Phe zwitterion 
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 +  
glycolithocholate 
glycylglycine 
glycylglycine zwitterion 
glycyrol  
glyoxylate +  
glyoxylic acid +   
gnidilatimonoein 
gonadorelin  
Gonadorelin hydrochloride 
gondamide 
gondoate 
granaticin 
grassypeptolide 
griffithane A 
griffithane B 
griffithane D 
GSK1059615 
GSK2656157  
GSK343  
GSK690693  
GTP(4-) +  
guanazole 
guanidinoacetic acid 
guanine +   
guanosine 5'-monophosphate(2-) +  
gummiferaoside A 
gummiferaoside B 
gummiferaoside C 
guttiferone F 
HA15 
hadacidin 
HC toxin 
hedychilactone D 
helenalin  
heliangin 
heparan sulfate  
herbacetin  
herbimycin  
hesperetin +   
hexadecan-1-ol +  
hexadecanal +  
hexadecanedioate(2-) 
hexadecanedioic acid +  
hexadecanoate +   
hexanoate +   
hexanoic acid +   
hexanoyl-CoA +   
HG-9-91-01 
hinokiflavone  
hippeastrine 
hispidulin  
histamine +   
histaminium 
histrelin +  
histrelin acetate 
holo-[acyl-carrier protein] 
holomycin +  
holothurin A3 
holothurin A4 
homocysteine zwitterion 
homocystine +  
homocystine zwitterion +  
homogentisate 
homogentisic acid 
homovanillate 
homovanillic acid +   
hordenine 
horminone +  
HT-2 toxin +   
human blood serum metabolite +   
human urinary metabolite +   
human xenobiotic metabolite +   
hyaluronic acid  
hydrazinocurcumin 
hydrogen cyanide +   
hydrogen peroxide +   
hydrogencarbonate +   
hydrogensulfite +   
hydrosulfide +  
hydroxidodioxidosulfidosulfate(1-) 
hydroxyacetone +  
hydroxysafflor yellow A  
hydroxytyrosol +   
hydroxyurea  
hygrolidin 
hyodeoxycholate 
hyodeoxycholic acid +   
hyperforin  
hyperxanthone C 
hyperxanthone E 
hypochlorous acid +   
hypocrellin D 
hypotaurine +   
hypothemycin 
hypothiocyanous acid 
iberin  
ibrutinib  
icariside II  
icosanoate +  
icosanoyl-CoA +  
icosatetraenoic acid +   
ICRF-193 
idelalisib  
IDP(3-) 
iduronic acid +  
ifosfamide  
igalan 
ikarugamycin +  
Ile(5)-angiotensin II  
Ile(5)-angiotensin II dizwitterion 
Ile-Ile 
ilomastat  
imatinib +  
imatinib methanesulfonate 
imidazol-4-ylacetate 
imidazole-4-acetaldehyde 
imiquimod  
IMP +   
IMP(2-) +  
indanomycin 
indisulam 
indol-3-ylacetaldehyde  
indole +   
indole-3-acetate 
indole-3-acetic acid +   
indole-3-carboxylic acid +   
indole-3-methanol +   
indoxyl sulfate  
ingenol mebutate 
inosine +   
insulin +   
iodide +   
iodine atom +   
IPQVWRDWFKLP 
irilone +   
irinotecan  
irinotecan hydrochloride (anhydrous) +  
irinotecan hydrochloride hydrate 
iron(2+) +   
iron(3+) +   
isariotin F 
isethionic acid  
isoalantolactone  
isobrucein A 
isobutyrate +  
isobutyric acid anhydride 
isobutyryl-CoA +   
isobutyryl-CoA(4-) 
isocaproic acid +   
isochamuvaritin 
isocitrate(3-) +  
isoflavipucine 
isoginkgetin 
isoiguesterin 
isoliquiritin 
isolithocholic acid 
isomaltose +  
isonicotinic acid +   
isooctanediol dibutyrate 
isoorientin +   
isopentenyl diphosphate(3-) 
isopropyl dodecanoate 
isopropyl palmitate  
isorhamnetin 3-O-robinobioside 
isostrychnine 
isotretinoin  
isoursodeoxycholic acid 
isovaleryl-CoA(4-) +  
isowigtheone hydrate 
itaconate(2-) 
itaconic acid +  
itaconyl-CoA(5-) 
ITP +  
ITP(3-) 
ivosidenib 
ixabepilone 
ixazomib +   
ixazomib citrate 
ixerochinolide 
jacarelhyperol A 
jaceosidin  
jadomycin B 
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 
jerantinine A +  
jerantinine B 
jerantinine C +  
jerantinine D 
jerantinine E 
jerantinine F 
jineol 
JM335 
JNK inhibitor I 
JP-8g 
JQ1 
JTE-607 dihydrochloride 
JTE-607 free base 
juglanin A 
juglanin B 
JWH-133 
kadlongilactone A 
kadlongilactone B 
kaempferol 3,7-di-O-alpha-L-rhamnoside 
kaempferol 3-O-(5-O-acetyl-alpha-D-apiofuranosyl)-7-O-alpha-L-rhamnopyranoside 
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside) 
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside) 
kahweol  
kansuiphorin A 
kansuiphorin B 
keto-phenylpyruvate 
KGKGKGKGKGENPAVHFFKNIVTPRTP 
KGKGKGKGKGENPVVAFFKNIVTPRTP 
KGKGKGKGKGENPVVHFFFNIVTPRTP 
KGKGKGKGKGENPVVHFFKNIVTPRTP 
KGKGKGKGKGENPVVHFFYNIVTPRTP 
Ki11502 
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+) 
kisspeptin-54 
kitastatin 1 
knipholone +  
koshikamide A2 
KP1019 
Ku-0063794  
kweichowenol B 
kynurenate 
kynurenic acid +   
kynurenine +   
L-2-amino-3-oxobutanoic acid 
L-2-aminoadipate(1-) 
L-2-aminoadipic acid +  
L-4-hydroxyglutamic semialdehyde 
L-alloisoleucine +  
L-allysine +  
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-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-isoleucine +   
L-kynureninate 
L-kynurenine +  
L-leucine +   
L-lysine +   
L-lysine zwitterion 
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-threonate 
L-threonine +   
L-thyroxine +  
L-tryptophan +   
L-tryptophanamide +  
L-valine +   
L-xylonate 
L-xylulose +  
lactate +  
lactose +   
laminarin  
lancovutide 
lanost-8-ene-3beta,30-diol  
lanosterol +   
lantibiotic +  
lapatinib  
lasofoxifene  
laurebiphenyl 
laurinterol +  
lauroyl-CoA(4-) +  
LB42908 
LDC4297 
leachianone A 
leflunomide  
lehualide F 
lehualide G 
lehualide H 
lehualide I 
lejimalide A 
lejimalide B 
lenalidomide  
lentinan  
lenvatinib 
lenvatinib mesylate 
lepirudin  
letrozole  
Leu-enkephalin  
Leu-Leu 
leucospiroside A 
leukotriene A4(1-) 
leukotriene B4 +   
leukotriene B4(1-) 
leukotriene C4 +   
leukotriene C4(2-) 
leukotriene D4  
leukotriene E4(1-) 
leukotriene F4 
leuprolide +   
leuprolide acetate 
levoglucosan 
licocoumarone  
lificiguat 
ligstroside 
limonene +   
linifanib 
linoleamide  
lipoamide +   
lipoate +  
lipoxin A4 +   
lipoxin B4 +  
lipoyl-AMP(1-) +  
lipoylprotein 
liraglutide  
liriodenine 
lissoclibadin 1 
lissoclibadin 2 
lissoclibadin 3 
lithocholate +  
lithocholic acid +   
lithocholyl-CoA 
lixisenatide 
LLP-3 
lomustine  
lonafarnib  
lonazolac 
lonazolac calcium 
longicalycinin A 
longirostrerone A 
longirostrerone B 
longirostrerone C 
longirostrerone D 
lonidamine +   
Lonsurf 
lorlatinib 
lovastatin +   
LRRK2-IN-1 
LSM-37009 
LSM-37015 
LSM-37045 
LSM-37094 
LSM-37129 
LSM-37138 
LSM-37175 
LSM-37192 
LSM-37213 
lucanthone +   
lucialdehyde B 
lucialdehyde C 
lucidenic acid N  
lugdunin 
luminespib 
lupulone 
luteolin +   
luzonial A 
luzonial B 
luzonidial B 
LY-2090314 
LY-2157299  
LY3009120 
lychnostatin 1 
lychnostatin 2 
lyratol C 
lyratol D 
lysikokianoside 1 
lysophosphatidylcholine +   
lysophosphatidylcholine 20:2 +  
lysophosphatidylcholine 20:5 +  
lysophosphatidylcholine 22:4 +  
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 16:0 +  
lysophosphatidylethanolamine 18:2 +  
m-tyraminium 
maackiaflavanone A 
maackiaflavanone B 
maackiapterocarpan A 
macaflavanone G 
macaranone A 
macluraxanthone B 
macluraxanthone C 
malonate(2-) +  
malonic acid +   
malonyl-CoA(5-) 
maltose +   
manassantin A 
manassantin B 
mancozeb  
mannarate(2-) +  
mannaric acid +  
mannitol +   
manool 
manzamine A +  
maoecrystal Z 
marimastat  
marineosin A 
marineosin B 
masitinib 
maslinic acid +   
masoprocol  
mastoparans +   
maytansine +  
maytenfolone A 
MCB-613 
mechlorethamine hydrochloride 
meclofenamic acid  
medroxyprogesterone acetate  
mefuparib 
mefuparib hydrochloride 
megathyrin A 
megestrol +   
megestrol acetate  
melatonin +   
melittin  
melophlin P 
melophlin Q 
melophlin R 
melophlin S 
melphalan  
menatetrenone +   
mercaptopurine +   
mertansine 
mesaconate(2-) 
mesaconic acid +  
mesaconyl-CoA 
meso-2,6-diaminopimelic acid +  
meso-2,6-diaminopimelic acid dizwitterion 
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) +   
metachromin S 
metachromin T 
methacrylyl-CoA  
methanethiol +   
methanol +   
methionine S-oxide +  
metholone +  
methotrexate  
methoxide 
methoxsalen +   
methoxyacetic acid  
methyl (indol-3-yl)acetate 
methyl 5-aminolevulinate +  
methyl 5-aminolevulinate hydrochloride 
methyl cyclohexanecarboxylate 
methyl gamma-linolenate 
methyl icosapentaenoate 
methyl isocyanate +   
methyl methanesulfonate  
methyl phenylglyoxalate 
Methyl violet 2B 
Methyl violet 2B free base 
methylammonium +  
methylcobalamin  
methylcyclohexane 
methylcyclopentane 
methylene group 
methylglyoxal +   
methylmalonate(1-) 
methylmalonate(2-) 
methylmalonic acid +   
methylmalonyl-CoA +  
methylseleninic acid  
methylselenol 
methylsuccinic acid 
methyltestosterone  
mevastatin +   
MI-63 
miboplatin 
michaolide A 
michaolide B 
michaolide C 
michaolide D 
michaolide E 
michaolide F 
michaolide G 
michaolide H 
michaolide I 
michaolide J 
michaolide K 
miconazole +   
miconazole nitrate 
microclavatin 
midazolam +   
midazolam hydrochloride 
midostaurin  
migrastatin 
miltefosine  
minabeolide 1 
minheryin G 
minquartynoic acid 
Mirabamide C 
Mirabamide G 
Mirabamide H 
mithramycin  
mitoguazone 
mitoguazone hydrochloride +  
mitoguazone hydrochloride hydrate 
mitomycin A 
mitomycin B 
mitomycin C  
mitoxantrone +   
mitoxantrone dihydrochloride 
MK-8353 
ML240 
MMP-9-IN-1 
mogrol +  
mollicellin B 
mollicellin C 
mollicellin E 
mollicellin F 
mollicellin H 
mollicellin J 
mollicellin K 
mollicellin L 
mollicellin M 
mollicellin N 
momelotinib 
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 +  
monodehydro-L-ascorbate(1-) 
monodictyochromone A 
monodictyochromone B 
monodictysin B 
monodictysin C 
morellic acid +  
morellin +  
morin  
moromycin A 
moromycin B 
morusin  
motixafortide 
MP-A08 
MTIC 
mucronulatol 
murideoxycholate 
murideoxycholic acid 
mycophenolic acid +   
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-) 
myriaporone 3 
Myricanone 
myricetin +   
myriocin  
myristamide +  
myristoleic acid +  
myristoyl-[acyl-carrier protein] 
myristoyl-CoA(4-) +  
myrsinoic acid A 
N(1),N(12)-diacetylsperminium(2+) 
N(1),N(12)-diethylspermine  
N(1)-(5-phospho-D-ribosyl)glycinamide(1-) +  
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)-phenylacetyl-L-glutaminate 
N(2)-phenylacetyl-L-glutamine 
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(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,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine  
N,N-dimethylacetamide 
N,N-dimethylethanolamine phosphate 
N,N-dimethylglycine  
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-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)piperidine-4-carboxamide 
N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonate 
N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine 
N-[(9Z)-hexadecenoyl]glycine 
N-[(E)-4-ammoniobutylidene]propane-1,3-diaminium 
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-) 
N-[(R)-pantothenoyl]-L-cysteinate 
N-\{4-[(3-bromophenyl)amino]quinazolin-6-yl\}but-2-ynamide 
N-Ac-Asp-N(6)-lipoyl-KATIGFEVQEE 
N-acetyl-alpha-D-glucosamine 1-phosphate 
N-acetyl-Asp-N(6)-[lipoyl]-Lys-Ala-Thr-Ile-Gly-Phe-Glu-Val-Gln-Glu-Glu 
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-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-serine +  
N-acetylcadaverine 
N-acetylglycinate +   
N-acetylglycine +  
N-acetylhistamine 
N-acetylisoleucine +  
N-acetylneuraminate +  
N-acetylneuraminic acid +   
N-acetylneuraminic acid 9-phosphate 
N-acetylputrescinium 
N-acetylserotonin  
N-acyl-beta-D-galactosylsphingosine +  
N-acylsphinganine +   
N-acylsphingosine +   
N-acylsphingosine 1-phosphate(2-) +  
N-arachidonoyl-2-oxoserotonin 
N-arachidonoylglycinate 
N-arachidonoylserotonin 
N-benzoylglycinate 
n-butyl oleate 
N-butylformamide 
N-carbamoyl-beta-alaninate 
N-carbamoyl-L-aspartate(2-) 
N-carbamoylaspartic acid +  
N-carbamoylglutamic acid 
N-desmethylenzalutamide 
N-docosanoyltaurine 
N-ethyl-5'-carboxamidoadenosine  
N-formimidoyl-L-glutamate(2-) +  
N-formyl-L-kynurenine +  
N-formylanthranilate 
N-glycoloylneuraminate +  
N-hexacosahexaenoylsphingosine 
N-hexadecanoylglycine +  
N-hexadecanoylsphinganine-1-phosphocholine 
N-hydroxyguanidine 
N-methyl-4-phenylpyridinium  
N-methylbutan-2-amine 
N-methylethanolaminium phosphate(1-) 
N-methylparoxetine 
N-methylphenylethanolamine 
N-methylphenylethanolaminium 
N-methylproline 
N-methylproline zwitterion 
N-methylputrescinium(2+) 
N-methylserotonin 
N-methyltyraminium 
N-nitrosopiperidine  
N-octadecanoylglycine 
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-succinimidyl N-methylcarbamate 
NAD(1-) +  
NADH(2-) +  
NADP(3-) 
NADPH(4-) +  
nandrolone +   
naphthazarin  
naringin  
nataloe-emodin +  
navitoclax  
nelarabine 
nelfinavir  
nelfinavir mesylate 
neobavaisoflavone +   
neocarzinostatin chromophore 
neocasomorphin 
neohesperidin 
neral +   
neratinib  
nesiritide 
Neurokinin A  
Neurokinin B 
neurotensin  
neurotensin (1-12) 
neurotensin (1-12)(1+) 
neurotensin (1-7) 
neurotensin (1-8) 
neurotensin(1+) 
nicotinate D-ribonucleotide(2-) 
nidulalin A 
nifedipine  
nigerapyrone B 
nigerapyrone D 
nigerapyrone E 
nigranoic acid 
nilotinib  
nilutamide  
nimustine  
nimustine hydrochloride 
ninhydrin 
nintedanib  
nintedanib esylate 
nitensidine E 
nitric oxide  
nitrite +   
nitrosulindac 
nitryl chloride 
NK154183A 
NK154183B 
NMN(-) 
nobiletin  
nociceptin  
nocodazole  
nogalamycin 
nonanal +   
nonanedioic acid +   
norathyriol +   
nordazepam  
norlaudanosoline +   
nortriptyline  
notoginsenoside R1  
NS-398  
NSC 23766 +   
NSC 23766 trihydrochloride 
Nutlin +   
O(4')-sulfo-L-tyrosinate(1-) 
O(4')-sulfo-L-tyrosine 
O(4)-methylthymine 
O-(2-aminoethyl)-L-serine 
O-(2-tetradecenoyl)carnitine 
O-(3-hydroxyvaleryl)-L-carnitine 
O-(chloroacetylcarbamoyl)fumagillol  
O-(dimethylnonenoyl)carnitine 
O-[(5Z)-tetradecenoyl]-L-carnitine 
O-acetyl-L-carnitine  
O-acetylcarnitine +   
O-butanoylcarnitine +   
O-decanoyl-L-carnitine 
O-dodecanoylcarnitine +  
O-glutaroyl-L-carnitine 
O-heptadecanoylcarnitine 
O-hexanoyl-L-carnitine 
O-hexanoylcarnitine +  
O-isobutyryl-L-carnitine 
O-isobutyrylcarnitine +  
O-isovalerylcarnitine +  
O-linoleyl-L-carnitine 
O-methylserotonin +   
O-octadecanoyl-L-carnitine 
O-octanoyl-L-carnitine 
O-oleoylcarnitine 
O-palmitoyl-L-carnitine 
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-propanoylcarnitine +  
O-stearoylcarnitine 
O-succinylcarnitine 
O-tetradecanoyl-L-carnitine 
O-tiglylcarnitine +  
o-tyrosine 
O-undecenoylcarnitine 
obochalcolactone 
obolactone 
obyanamide 
ochrocarpin A 
ochrocarpin B 
ochrocarpin C 
ochrocarpin D 
ochrocarpin E 
ochrocarpin F 
ochrocarpin G 
ochrocarpinone A 
ochrocarpinone B 
octadecadienoate +  
octadecan-1-ol +   
octadecanoate +  
octadecanoic acid +   
octanoate +  
octanoic acid +   
octanoyl-[acyl-carrier protein] 
octanoyl-CoA(4-) +  
olaparib  
oleamide  
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-CoA(4-) 
oleuropein +   
oligomycin A  
oligomycin D 
oltipraz  
omacetaxine mepesuccinate  
omega-3 fatty acid +   
omega-conotoxin GVIA  
omega-hydroxymenaquinone-4 
omeprazole +   
onalespib 
ophiobolin C 
ophthalmic acid 
orantinib  
orbiculin A 
orbiculin E 
orbiculin F 
orbiculin G +  
oridonin  
ormaplatin 
ornithine +   
ornithinium(1+) +  
orotate +  
orotidine 5'-phosphate 
orotidine 5'-phosphate(3-) 
oroxylin A +   
oroxylin A(1-) 
osimertinib  
osimertinib mesylate 
ospemifene  
ossamycin 
OSU-03012  
oviedomycin 
oxalate(1-) +  
oxalate(2-) +   
oxalic acid +   
oxaline 
oxaliplatin +   
oxaloacetate(2-) 
oxidopamine  
oxypeucedanin hydrate acetonide 
oxyphenbutazone +   
oxyphenbutazone hydrate 
oxytocin +   
P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-) 
p-cresol +   
p-cresol sulfate 
p-cresol sulfate(1-) 
P-factor 
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe 
paclitaxel +   
palau'amide 
palbociclib  
palmitoleamide 
palmitoleate +  
palmitoleoyl-CoA(4-) 
palmitoyl-[acyl-carrier protein] 
palmitoyl-CoA(4-) 
pannarin 
panobinostat  
panobinostat lactate 
pantetheine 
pantetheine 4'-phosphate(2-) +  
papuamide B 
parabanic acid +  
paraminabeolide A 
pasireotide  
pasireotide aspartate 
pateamine 
pazopanib  
pazopanib hydrochloride 
PD 0325901  
PD-166866 +   
PD158780 
PD173074  
pectolinarin 
pederin 
peloruside A 
pemetrexed  
pemetrexed disodium +  
pemetrexed disodium heptahydrate 
penicilloyl polylysine 
pentan-3-amine 
peonidin +   
peonidin chloride  
peptide YY 
perillic acid +   
perillyl aldehyde  
peroxynitrite 
pevonedistat  
pexidartinib 
PF-00477736  
PHA-533533 
PHA-665752  
phantomolin 
phaseolotoxin 
phenethyl caffeate  
phenethyl isothiocyanate +   
phenformin  
phenylacetaldehyde +   
phenylacetate +  
phenylacetic acid +   
phenylacetyl-CoA(4-) 
phenylacetylglycine +   
phenylacetylglycine(1-) 
phenylarsine oxide  
phenylethanolamine +  
phenylethanolaminium 
phleomycin 
phleomycin D1 +  
phloretin +   
phomacin A 
phomacin B 
phomacin C 
phomoxanthone A 
phomoxanthone B 
phorbol 13-acetate 12-myristate  
phosphate ion +  
phosphatidate(2-) +  
phosphatidyl-L-serine +  
phosphatidyl-N,N-dimethylethanolamine +  
phosphatidyl-N-methylethanolamine +  
phosphatidylcholine (16:0/20:5) 
phosphatidylcholine 16:2 
phosphatidylcholine 29:1 +  
phosphatidylcholine 35:3 +  
phosphatidylcholine 35:4 +  
phosphatidylcholine 36:4 +   
phosphatidylcholine 42:7 
phosphatidylethanolamine 19:1 
phosphatidylethanolamine 36:2 +  
phosphatidylethanolamine 36:3 +  
phosphatidylethanolamine 38:3 +  
phosphatidylethanolamine 38:4 +  
phosphatidylglycerol(1-) +  
phosphatidylserine 18:0 
phosphatidylserine 40:1 
phosphatidylserine 40:2 
phosphatidylserine 42:1 
phosphocholine +   
phosphoenolpyruvate  
phosphoric acid +   
phylloquinone +   
physalin B 
physalin D 
physalin F 
physcion +   
phytanate +  
phytanoyl-CoA(4-) 
PI-103 
piceatannol +  
picolinic acid +   
picropodophyllotoxin  
pierreione A 
pierreione B 
pinocembrin +   
pipecolate +  
pipercallosidine 
pipercallosine 
piperidine +   
pipobroman 
pirazofurin 
PJ34 
PJ34 hydrochloride 
PK-11195  
plaunotol  
pleosporone 
plerixafor  
plitidepsin  
plumbagin  
PLX-4720 
PM-94128 
podophyllotoxin +   
poly(glycyl-L-arginine) 
poly(N-acetyllactosamine)  
polyketomycin 
pomalidomide  
ponatinib  
porfimer 
porfimer sodium 
porphobilinogen(1-) 
potassium(1+) +   
PP121 
pracinostat 
pralatrexate 
pramlintide 
prednisolone +   
prednisolone phosphate 
prednisone +   
pregnenolone +   
pregnenolone sulfate  
prenyl diphosphate(3-) 
prenylcandidusin A 
prenylcandidusin B 
prenylcandidusin C 
prenylterphenyllin 
prenylterphenyllin A 
prenylterphenyllin B 
prenylterphenyllin C 
presqualene diphosphate(3-) 
preuroporphyrinogen(8-) 
previtamin D3 
prinomastat  
prinomastat hydrochloride 
pristanal 
pristanic acid +  
pristanoyl-CoA +  
Pro-Hyp 
Pro-Hyp zwitterion 
procarbazine  
procarbazine hydrochloride 
procyanidin B4 +  
prodigiosin  
progesterone +   
proline +   
promegestone  
propionate +   
propionyl-CoA(4-) +  
propyl butyrate 
propyl propionate 
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 E3  
prostaglandin F1alpha +   
prostaglandin F2alpha +   
prostaglandin F2alpha 1-glyceryl ester 
prostaglandin F2alpha 2-glyceryl ester 
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 +  
protein polypeptide chain +   
protirelin 
protopanaxadiol +   
protoporphyrinate 
protoporphyrinogen(2-) 
psorospermin  
psychosine +  
psychosine sulfate 
psychosine(1+) 
pterostilbene  
purine-6-thiol  
puromycin +   
pyoluteorin 
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-) 
pyroglutamylglutaminate 
pyroglutamylglutamine 
pyrrolidine dithiocarbamate  
pyrvinium  
QINTAKWWKTHF 
QSPSYPDREYSDEDRQIKQMLHQECPRL-NH2 
quassimarin 
quercetin +   
quercetin 3,4'-dimethyl ether 
quercetin 3-O-beta-D-glucopyranoside  
quercetin 4'-O-beta-D-glucopyranoside  
quinaldate 
quinaldic acid 
quinolinate(1-) +  
quinolinate(2-) 
quinoline-4,6-diol 
quinoline-4,8-diol 
quinolinic acid  
quizartinib  
rac-1-monolinoleoylglycerol 
rac-crizotinib 
ravidomycin 
rediocide G 
regorafenib +   
regorafenib hydrate 
respirantin 
retaspimycin 
retaspimycin hydrochloride 
retinal +   
retinoic acid +   
retinol +   
reumycin +  
reversine 
rhamnacene +  
rhinacanthin C 
rhizoxin 
rhosin 
ribitol +   
ribothymidine +  
ridaforolimus 
rifampicin +   
rigosertib 
rigosertib sodium 
Ro 41-5253  
Ro 48-8071 
Ro 48-8071 fumarate 
Ro 5-3335 
robustaflavone +  
robustaflavone 7,4',7''-trimethyl ether 
rocaglamide  
roducitabine 
rohitukine 
romidepsin  
rostratin A 
rostratin B 
rostratin C 
rostratin D 
rotenone  
rottlerin  
rotundifolioside A 
rotundifolioside H 
rotundifolioside I 
rotundifolioside J 
rotundifuran 
RU 58668  
rubiarbonol G 
rubiarbonone E 19-acetate 
rubiarboside G 28-acetate 
rubimaillin  
rubitecan  
rubiyunnanol A 
rubiyunnanol B 
rubraxanthone 
rucaparib  
ruxolitinib +  
ruxolitinib phosphate 
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-(2-succinyl)-L-cysteine 
S-(hydroxymethyl)glutathione(1-) 
S-acetylglutathione 
S-adenosyl-L-methioninate  
S-adenosyl-L-methionine +   
S-adenosylmethioninaminium 
S-allylcysteine  
S-formylglutathionate(1-) 
S-formylglutathione 
S-methyl-5-thio-alpha-D-ribose 1-phosphate(2-) 
S-methyl-5-thio-D-ribulose 1-phosphate(2-) 
S-sulfo-L-cysteine 
SAICAR(4-) 
saintopin 
salinosporamide A 
salsalate  
salvianolic acid B  
salvileucalin B 
samaderine B 
samaderine C 
samaderine E 
samaderine X 
samaderine Y 
samaderine Z 
sapacitabine 
sapropterin +   
sarcosinate 
sarcosine +  
sarcosinium 
satraplatin  
SB 415286  
SB-202190 
SC-58125  
SC560 
SCH51344 
SCH772984  
schiprolactone A 
schizolaenone A 
schizolaenone B 
schweinfurthin G 
schweinfurthin H 
sciscllascilloside E-1 
sclareol  
scutebarbatine C 
scutebarbatine D 
scutebarbatine E 
scutebarbatine F 
scutebarbatine G 
scutellarin  
scutianthraquinone A 
scutianthraquinone B 
scutianthraquinone C 
scyllo-inositol +   
scytalidamide A 
scytalidamide B 
Se-methyl-L-selenocysteine +   
Se-methylselenocysteine +   
sebacate(2-) 
sebacic acid +   
secoaggregatalactone A 
secretin human 
sedoheptulose 1,7-bisphosphate(4-) 
sedoheptulose 7-phosphate 
sedoheptulose 7-phosphate(2-) 
selenate +  
selenide +   
selenocysteine +   
selenophosphate 
selumetinib  
semaglutide 
semaxanib 
semustine  
sepantronium bromide 
sermorelin 
serotonin +   
serotonin(1+) 
sesterstatin 1 
sesterstatin 2 
sesterstatin 3 
Sg17-1-4 
sibiromycin 
silibinin  
silvestrol 
simalikalactone D 
sinularolide B 
sinularolide C 
sinularolide D 
sinularolide E 
sirolimus +   
sitoindoside IX 
skatole  
SKF-96365 hydrochloride  
SN-38 +   
sn-glycerol 3-phosphate 
sn-glycerol 3-phosphate(2-) 
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+) +   
solanine 
solasodine +   
solasodine(1+) 
somatostatin +   
somatostatin-28 
somocystinamide A 
sonidegib +   
sonidegib phosphate 
sophoraflavanone A 
sophoraflavanone L 
sorafenib +   
spermidine(3+) +  
spermine(4+) 
sphinganine +   
sphinganine 1-phosphate(1-) 
sphinganine(1+) +  
sphingomyelin d18:1(1+) 
sphingosine +   
sphingosine 1-phosphate(1-) 
sphingosine(1+) 
spiculoic acid A 
spiruchostatin B  
spongotine A 
squalene +   
SR9243  
stachsterol 
STAT3 inhibitor peptide 
stattic  
stearoyl-CoA(4-) 
steffimycin D 
steviol +   
stevioside +   
streptokordin 
Streptomyces coelicolor calcium-dependent antibiotic CDA4b 
streptonigrin  
streptozocin  
strongylin A 
strongylophorine-26 
SU4312 
SU6656  
suberic acid +   
succinate(2-) +  
succinyl-CoA(5-) 
sucrose +   
sugiol +  
sulfate +   
sulfoglycolithocholate(2-) 
sulforaphane +   
sulindac +   
sulindac sulfide  
sulindac sulfone  
sunitinib +   
superoxide  
suramin  
surfactin  
surfactin A +   
surfactin B +   
surfactin C +   
surfactin D +   
survivin suppressant +  
swainsonine  
SZL-P1-41 
T-2 toxin  
tabernaemontanine 
tabersonine +  
tabtoxinine beta-lactam +  
tacalcitol 
tacedinaline  
tachysterol 3 
tafenoquine 
tagatose 6-phosphate +  
taiwanhomoflavone A 
taiwanhomoflavone-B 
TAK-580 
TAK-632 
talmapimod 
tamibarotene  
tamoxifen +   
tamsulosin +   
tamsulosin hydrochloride +  
tanariflavanone D 
tandutinib 
tanespimycin  
tangeretin +   
tanghinigenin +  
tanghinin 
tasumatrol E 
tasumatrol F 
taurine +   
tauro-beta-muricholate 
tauro-beta-muricholic acid  
taurochenodeoxycholate 
taurochenodeoxycholic acid  
taurocholate +   
taurocholic acid  
taurodeoxycholate 
taurodeoxycholic acid +   
taurolithocholate 
taurolithocholic acid +   
taurolithocholic acid sulfate  
taurolithocholic acid sulfate(2-) 
tauroursocholate 
tauroursocholic acid 
tauroursodeoxycholic acid  
TDZD-8 
tectochrysin  
teduglutide 
temozolomide  
teniposide  
tenovin-6 
tephrosin +   
terazosin +   
teriparatide 
terlipressin 
terreic acid 
terrequinone A 
tesamorelin 
tesevatinib 
testosterone +   
testosterone 17-glucosiduronic acid  
testosterone acetate 
tetracosanoate +  
tetracosanoic acid +   
tetracosanoyl-CoA 
tetradecan-2-ol 
tetradecanedioate(2-) 
tetradecanedioic acid +  
tetradecanoate +  
tetradecanoic acid +   
tetragastrin 
tetramethylpyrazine  
tetratetracontane 
tetrazolium violet  
TG101209 
thalidomide +   
thallium(I) acetate  
thiamine(1+) +   
thiamine(1+) diphosphate(1-) 
thiamine(1+) monophosphate +  
thiamine(1+) monophosphate(2-) 
thiamine(1+) triphosphate(4-) 
thiocyanate +   
thiodiglycol  
thiolutin 
thioredoxin disulfide 
thioredoxin dithiol 
thiostrepton  
thiosulfate(2-) +   
thromboxane A2(1-) +  
thromboxane B2 +   
thromboxane B3 
thymalfasin 
thymidine +   
thymine +   
thymoquinone  
THZ531 
tiazofurine  
tideglusib 
tilimycin 
tilorone 
tilorone dihydrochloride 
tioguanine +   
tipifarnib  
tipiracil 
tipiracil hydrochloride +  
tirapazamine  
TMC-135A 
TMC-135B 
TMC-1A 
TMC-1B 
TMC-1C 
TMC-1D 
TMC-86A 
TMC-86B 
TMC-95A 
TMC-95B 
TMC-95C 
TMC-95D 
TMC-96 
tolbutamide  
tomaymycin +  
TOP-53 
topopyrone A 
topopyrone B 
topopyrone C 
topopyrone D 
topotecan  
toremifene  
torin 1  
torin 2 
torkinib 
toxoflavin 
toyocamycin 
trabectedin  
trametinib +   
trametinib dimethyl sulfoxide 
tranilast  
trans-1,2-dithiane-4,5-diol +  
trans-13-docosenamide 
trans-2-decenoic acid +  
trans-2-hydroxyisoxypropyl-3-hydroxy-7-isopentene-2,3-dihydrobenzofuran-5-carboxylic acid 
trans-2-octadecenoyl-CoA 
trans-3-methylglutaconyl-CoA(5-) 
trans-4-hydroxy-L-proline +  
trans-astringin 
trans-caffeate +  
trans-dec-2-enoyl-CoA(4-) 
trans-dodec-2-enoyl-CoA(4-) 
trans-hex-2-enoyl-CoA 
trans-oct-2-enoyl-CoA 
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 +  
triaziquone 
tributyrin  
tricetin +   
trichloro(docosyl)silane 
trichodermin 
trichodimerol 
tricosanoic acid +  
trierixin  
triethylene glycol monomethyl ether 
trifluridine +   
trilobacin 
trilostane  
trimethylenediamine +   
trimethylenediaminium 
triphosphate(5-) +  
triplatin tetranitrate 
triplatin(4+) +  
triptohypol C 
triptonide  
triptorelin  
troglitazone  
tryptamine +   
tryptaminium 
tschimganine 
tsugarioside C 
TTT-3002 
tubercidin +   
tubocapsanolide A +  
tubocapsanolide F 
tubulozole 
tyloxapol 
tyramine +   
tyraminium 
tyrphostin AG 1478  
tyrphostin B42  
U0126 +   
U0126.EtOH 
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-) +  
undecanoate 
undecanoic acid +   
uracil +   
urate anion +  
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-) 
uvaretin 
Vaby A 
Vaby B 
Vaby C 
Vaby D 
Vaby E 
vadimezan  
vandetanib +   
vanillylmandelate 
vanillylmandelic acid  
variecolorquinone A 
variecolorquinone B 
Varv E 
vasopressin +   
vasotocin  
vatalanib +   
vatalanib succinate 
vedelianin +  
vemurafenib  
venetoclax  
verteporfin  
vincristine  
vincristine sulfate 
vincristine(2+) +  
vindesine