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(+)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-benzoyloxy-5,6-epoxylathyr-12-en-15-ol-14-one 
(+)-albicanol 
(+)-alpha-tocopherol +   
(+)-alpha-viniferin  
(+)-conocarpan  
(+)-isoafricanol 
(+)-schisandrin B  
(+)-subersic acid 
(+-)-menthol 
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-15-benzoyloxy-5,6-epoxylathyr-12-en-14-one 
(-)-(5E,12E,2S,3S,4S,9S,11S,15R)-15-benzoyloxylathyra-5,12-dien-3-ol-14-one 
(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-acetoxy-15-benzoyloxylathyra-6,12-dien-5-ol-14-one 
(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one 
(-)-antofine  
(-)-cubebin 
(-)-gynuraone 
(-)-larreatricin 
(-)-microdiplodiasolol 
(-)-syringaresinol O,O'-bis(beta-D-glucoside) 
(1'S,5'R)-5'-hydroxyaverantin 
(1'S,5'S)-averufin 
(10E,12Z,15Z)-9-hydroxy-10,12,15-octadecatrienoic acid methyl ester 
(13R)-13-dihydrocarminomycin 
(13R)-epi-8,13-epoxylabd-14-ene 
(13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid 
(18R)-resolvin E3 
(18S)-resolvin E1 
(18S)-resolvin E2 
(1R,2S)-nortilidine +  
(1R,4R,5R,8S)-8-hydroxy-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-3-one 
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide 
(1R,5R,6S,7S,8S,10R,11S)-6-hydroxy-4-oxopseudoguai-2(3)-en-12,8-olide 
(1S,2R)-nortilidine +  
(1S,2R,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide 
(1S,2R,5R,6S,7S,8S,10R)-6-hydroxy-2-ethoxy-4-oxopseudoguai-11(13)-en-12,8-olide 
(1S,2R,5R,6S,7S,8S,10R)-6-hydroxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide 
(1S,2S,5R,6S,7R,8S,10R)-6-acetoxy-2-methoxy-4-oxopseudoguai-11(13)-en-12,8-olide 
(1S,5R,6S,7S,8S,10R,11R)-6-hydroxy-4-oxopseudoguai-12,8-olide 
(1S,5S,7R,8S,10R)-14-acetoxy-4-oxopseudoguai-11(13)-en-12,8-olide 
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside 
(22S,24R)-3alpha-ureido-ergosta-4,6,8(14),22-tetraene 
(2E,4E,6E,8E,10E)-octadecapentaenoic acid 
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid 
(2R,3S)-EHNA 
(2R,3S)-EHNA hydrochloride 
(2S)-2-(4-\{[(1R,2S)-2-hydroxycyclopentyl]methyl\}phenyl)propanoic acid 
(2S,3S)-2,3-dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran 
(3,4-dimethoxyphenyl)methanol +  
(3R)-3-\{[(3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy\}butanoyl]oxy\}butanoyl]oxy\}butanoic acid +  
(3R)-3-\{[(3R)-3-\{[(3R)-3-hydroxybutanoyl]oxy\}butanoyl]oxy\}butanoic acid +  
(4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosahexaenoic acid 
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid 
(4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid 
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid 
(5-hydroxyindol-3-yl)acetic acid  
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid 
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid 
(5Z,11Z,14Z)-icosatrienoic acid 
(6-methoxy-2-naphthyl)acetic acid 
(6E,8Z,10E,12S,14Z)-12-hydroxy-5-oxoicosatetraenoic acid 
(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid 
(7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid 
(9Z)-heptadecenoic acid +  
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside 
(E)-cinnamaldehyde +   
(R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid 
(R)-3-hydroxybutanenitrile 
(R)-3-hydroxybutyric acid +  
(R)-adrenaline +   
(R)-lisofylline +  
(R)-methocarbamol +  
(R)-pantothenic acid +   
(RS)-mallotophilippen E 
(S)-averantin(1-) 
(S)-glaucine +   
(S)-methocarbamol +  
(S)-nicotine +   
1',4-dihydroxymidazolam 
1,1,1,3,3,3-hexafluoropropan-2-ol  
1,2-dihexadecanoyl-3-octadecanoyl-sn-glycerol 
1,2-dioleoyl-3-[(11Z)-icosenoyl]-sn-glycerol 
1,3,7-trimethyluric acid  
1,3-dinitroglycerol +  
1,7-dimethylxanthine  
1-(3-chlorophenyl)piperazine  
1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione +  
1-[(9Z)-heptadecenoyl]-2-oleoyl-3-linoleoyl-sn-glycerol 
1-alpha-linolenoyl-2-[(11Z)-icosenoyl]-sn-glycerol 
1-alpha-linolenoyl-2-[(11Z,14Z)-icosadienoyl]-sn-glycerol 
1-alpha-linolenoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycerol 
1-alpha-linolenoyl-2-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycerol 
1-alpha-linolenoyl-2-icosanoyl-sn-glycerol 
1-heptadecanoyl-2,3-dioleoyl-sn-glycerol 
1-hepten-3-one 
1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol 
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol 
1-hexadecanoyl-2-[(9Z)-octadecenoyl]-3-[(11Z)-icosenoyl]-sn-glycerol 
1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol 
1-hydroxymidazolam +   
1-hydroxymidazolam beta-D-glucuronide  
1-methyl-3-propyl-7H-xanthine 
1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside 
1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-vanilloyl)-beta-D-glucopyranoside 
1-octadecanoyl-2,3-dioleoyl-sn-glycerol 
1-tetradecanoyl-2,3-dihexadecanoyl-sn-glycerol 
1-tetradecanoyl-2,3-dioleoyl-sn-glycerol 
1-tetradecanoyl-2-hexadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol 
1-tetradecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol 
10,11-trans-dihydroxy-10,11-dihydrocarbamazepine +  
10-PAHSA 
10-PAHSA(1-) 
11(R)-HEPE 
11(R)-HEPE(1-) 
11-PAHSA 
11-PAHSA(1-) 
12-hydroxynevirapine 
12-PAHSA 
12-PAHSA(1-) 
13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid 
13-PAHSA 
13-PAHSA(1-) 
14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid 
15(R)-HEPE 
15(R)-HEPE(1-) 
15-O-desmethyl-(5Z)-7-oxozeaenol 
15beta-O-benzoyl-5alpha-hydroxyisolathyrol 
16(S)-HETE 
16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid 
16-alpha-D-mannopyranosyloxyisopimar-7-en-19-oic acid 
16-hydroxyisopimar-7-en-19-oic acid 
17,18-DiHETE 
17-defurano-17-oxosalannin 
17-hydroxypregnenolone 3-sulfate 
18(R)-HEPE 
18(R)-HEPE(1-) 
18(S)-HEPE 
18-hydroxylinoleic acid 
19alpha-hydroxyasiatic acid +  
2',4,4',6'-tetrahydroxychalcone +   
2',4,4',6'-tetrahydroxychalcone(1-) 
2'-hydroxychalcone  
2'-hydroxydaidzein 
2'-hydroxydaidzein(1-) 
2'-hydroxyformononetin 
2'-methylacetophenone 
2,3-bisphospho-D-glyceric acid  
2,4-dichlorolichexanthone 
2,4-dihydroxy-6-methylbenzaldehyde 
2,4-dimethylheptane 
2,5-dihydroxybenzoate 
2,5-dihydroxybenzoic acid +   
2,6-dimethylaniline +   
2,6-dimethylheptadecane 
2,6-dimethylheptanoyl carnitine +  
2-(2,4-dihydroxyphenyl)-5-(E)-propenylbenzofuran 
2-(2-hydroxy-4-methoxyphenyl)-5-(3-hydroxypropyl)benzofuran 
2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran 
2-(4-hydroxyphenyl)ethanol +   
2-(beta-D-glucopyranosyloxy)benzoic acid 
2-acetamidophenol  
2-aminophenylacetic acid 
2-ethylhexanal 
2-formylbenzoic acid 
2-hydroxyibuprofen 
2-hydroxypentadecanoic acid 
2-hydroxytridecanoic acid 
2-methoxyacetaminophen glucuronide 
2-methoxyacetaminophen glucuronide(1-) 
2-methoxyacetaminophen sulfate 
2-methoxyacetaminophen sulfate(1-) 
2-methoxyresorcinol sulfate 
2-methoxyresorcinol sulfate(1-) 
2-O-(beta-D-glucosyl)glycerol 
2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine 
2-O-acetyl-1-O-octadecyl-sn-glycero-3-phosphocholine 
2-octadecanoyl-sn-glycero-3-phosphoethanolamine 
2-oxohexanoic acid 
2-phenylethyl 1H-indol-3-ylacetate 
20-hydroxy-20-oxoleukotriene B4 +  
21-deoxycortisol 
21-hydroxypregnenolone disulfate 
22-hydroxyprotectin D1 
25-hydroxy-3-epidehydrotumulosic acid 
2alpha,3alpha,23-trihydroxyolean-12-en-28-oic acid 
2alpha,3beta-dihydroxyolean-13(18)-en-28-oic acid 
2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide 
3'-hydroxy-4'-methoxydiclofenac 
3'-hydroxydiclofenac 
3,4'-dimethylkaempferol 
3,4-dihydroxymandelic acid  
3,5-dihydroxyphenylacetic acid 
3-chlorobenzoic acid 
3-deacetylsalannin 
3-hydroxy-2,2-dimethylbutyric acid 
3-hydroxy-D-aspartic acid +  
3-hydroxy-L-valine +  
3-hydroxyglutaric acid 
3-hydroxymethylantipyrine 
3-methylflavone-8-carboxylic acid +  
3-methylorsellinic acid 
3-O-[2,3-di-O-acetyl-alpha-L-arabinopyranosyl]-hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 
3-O-[3,4-di-O-acetyl-alpha-L-arabinopyranosyl]hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside 
3-O-feruloylcycloartenol 
3-octanone 
3-pyridinemethanol  
3beta,15alpha,22-trihydroxyhopane 
3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 
3beta,6beta,23-trihydroxyolean-12-en-28-oic acid 28-O-beta-D-glucopyranoside 
3beta,7beta,15alpha,22-tetrahydroxyhopane 
3beta,7beta-dihydroxy-22(29)-hopene 
3beta-acetoxy-15alpha,22-dihydroxyhopane 
3beta-acetoxy-15alpha-hydroxy-22(29)-hopene 
3beta-acetoxy-7beta,15alpha,22-trihydroxyhopane 
4',5-dihydroxydiclofenac 
4',6,7-trihydroxyisoflavone 
4'-hydroxy torasemide 
4'-hydroxyacetophenone +   
4'-hydroxychalcone  
4'-hydroxydiclofenac  
4'-O-demethylsordarin 
4,4-dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol 
4-(2,4,7-trioxa-bicyclo[4.1.0]heptan-3-yl)phenol 
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate 
4-(acetylamino)-3-hydroxyphenyl sulfate 
4-(methylamino)antipyrine 
4-(trifluoromethyl)phenol 
4-acetamidoantipyrine 
4-aminoantipyrine 
4-epiisoinuviscolide 
4-ethoxyaniline +   
4-formylaminoantipyrine 
4-guanidinobutanoate 
4-guanidinobutanoic acid 
4-hydroxy-2,6-dimethylaniline 
4-hydroxy-3-methylbenzoic acid 
4-hydroxy-6-methylaniline 
4-hydroxycordoin 
4-hydroxymellein 
4-hydroxymidazolam +   
4-hydroxymidazolam beta-D-glucuronide 
4-hydroxyphenylacetate 
4-hydroxyphenylacetic acid +   
4-hydroxyphenylpyruvic acid oxime 
4-hydroxypropofol 
4-terpineol +   
4beta,10alpha-dihydroxy-5alphaH-guai-1(2),11(13)-dien-12,8alpha-olide 
5'-hydroxyomeprazole  
5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid 
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid 
5-(3-hydroxypropyl)-2-(2-methoxy-4-hydroxyphenyl)benzofuran 
5-(undeca-3,5,7-trien-1-yl)-2-furyl hydrogen carbonate 
5-(undeca-3,5,7-trien-1-yl)furan-2-ol +  
5-carboxy-2'-deoxyuridine 
5-fluorouridine 5'-monophosphate 
5-hydroxy-8-methoxy-4-phenylisoquinolin-1(2H)-one 
5-hydroxybenzofuran-2-one 
5-hydroxydiclofenac  
5-hydroxydiclofenac quinone imine 
5-hydroxymethyl-2-furoic acid 
5-methylorsellinic acid 
5-O-desmethyldonepezil 
5-oxo-ETE  
5-PAHSA 
5-PAHSA(1-) 
5alpha-dihydrotestosterone sulfate 
5beta-dihydrotestosterone 
6'-O-acetylpaeoniflorin 
6,7-dihydroxy-4-methylcoumarin 
6-azauridine +   
7-deacetylgedunin 
7-demethylsiderin 
7-epiclusianone 
7-hydroxyticlopidine 
7-oxo-10alpha-cucurbitadienol 
7-PAHSA 
7-PAHSA(1-) 
7alpha-hydroxydehydroepiandrosterone 
7beta,15alpha,22-trihydroxyhopane 
7beta,15alpha-dihydroxy-22(29)-hopene 
8-bromo-3',5'-cyclic GMP  
8-epihelenalin 
8-epiinuviscolide 
8-oxoresolvin D1 
8-PAHSA 
8-PAHSA(1-) 
9,10,13-TriHOME 
9-deoxy-hymatoxin A 
9-PAHSA 
9-PAHSA(1-) 
9E,11E-octadecadienoic acid +   
A41030A 
A47934 
absinthin 
acetaminophen O-beta-D-glucosiduronic acid  
acetohydrazide +   
acetosyringone +  
acetylcholine +   
acetyltaurine 
acetyltaurine(1-) 
aclidinium +  
aclidinium bromide 
acremoauxin A 
acromelic acid A 
acrylonitrile +   
ACT-132577 +   
ACT-333679 +  
acteoside  
acuminatin 
adefovir +   
adenosine +   
adenosine A1 receptor antagonist +   
adenosine A2A receptor antagonist +   
adenosine A3 receptor antagonist +  
adenosine phosphodiesterase inhibitor +   
afzelin  
agnestin A 
agnestin B 
aigialone 
ajmalicine  
albuterol +   
alcuronium +   
all-cis-5,8,11,14,17-icosapentaenoic acid +  
all-cis-8,11,14,17-icosatetraenoic acid +  
all-cis-icosa-8,11,14-trienoic acid +  
all-trans-retinoic acid +   
alloxanthine +   
Aloe C-glucosylchromone 
alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer 
alpha-D-Gal-(1->3)-[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-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/26:1(17Z)) 
alpha-nootkatol 
alprazolam  
altenusin  
aminophylline  
amlodipine +   
amlodipine benzenesulfonate +  
amphetamine +   
amrinone  
anandamide +   
Anoro Ellipta 
anti-inflammatory drug +   
antispasmodic drug +   
antrocapmphin A 
antroquinonol  
apelin-12 
aphidicolin  
arabinitol +  
aranotin 
arformoterol +  
arformoterol fumarate +   
Arg-Phe 
aripiprazole  
aromaticin 
ascidiathiazone A 
ascidiathiazone B 
Asp-Phe 
asperfuranone 
Aspergillus metabolite +   
aspirin-triggered protectin D1 
aspirin-triggered resolvin D1 
aspirin-triggered resolvin D2 
aspirin-triggered resolvin D3 
aspirin-triggered resolvin D4 
aspirin-triggered resolvin D5 
aspirin-triggered resolvin D6 
aspyridone A 
aspyridone B 
astilbin  
astragaloside IV  
atenolol acid 
atenolol-desisopropyl 
atracurium +   
atracurium besylate +  
atromentin 
atropine +   
avanafil 
averantin +  
azadiradione +   
azaphilone +   
azelastine +   
azelastine hydrochloride 
azumolene 
azure B  
baclofen  
baeocystin 
baicalein +   
bambuterol +   
bambuterol hydrochloride +  
bamethan +  
bassianolide 
bauhinoxepin F 
bauhinoxepin I 
BAY 41-2272 
BAY 60-6583  
beauvericin  
beclomethasone +   
beclomethasone dipropionate 
benzyl nicotinate 
bepridil +   
beta-Asp-Glu 
beta-carboline +   
beta-D-galactosyl-(1<->1')-N-acyl-(4E,8E)-9-methylsphinga-4,8-dienine 
beta-D-glucosyl-(1<->1')-N-acyl-(4E,8E)-9-methylsphinga-4,8-dienine- 
beta-erythroidine +   
beta-lapachone  
beta-myrcene  
beta-sitosterol 3-O-acetate 
betaenone A +  
betahistine  
betamethasone phosphate 
betulin +   
betulinic acid +   
Bevespi Aerosphere 
bigelovin 
bikaverin 
bisnorcholic acid 
bitolterol +  
bitolterol mesylate +  
bixin +   
blazein 
botrallin 
botryosphaerin H 
bowdichione 
bradykinin +  
brazilein  
brazilin  
Breo Ellipta 
bucladesine  
budesonide  
bufalin  
burrodin 
butrin 
c-di-GMP  
cafestol  
caffeic acid 3-sulfate 
caffeic acid 3-sulfate(2-) 
caffeine +   
calcitriol +   
cannabigerol 
canthaxanthin  
capsiate  
carbamazepine-10,11-epoxide  
carbon dioxide  
carbon monoxide  
carboxyibuprofen 
carboxyibuprofen(2-) 
carisoprodol +   
carlinoside 
carnosic acid  
carpesiolin 
carpronium chloride 
carvedilol  
castanospermine 
cauloside D 
ceftaroline +  
cenicriviroc 
cephalanone F 
cephalosporin C +   
cercosporamide 
CGP-42112A  
CGS-21680  
Chaetomium metabolite +   
chlormezanone +  
chloromonilicin 
chlorphenesin +   
chlorphenesin carbamate  
chlorzoxazone  
cholesteryl (5Z,8Z,11Z)-icosatrienoate 
cholesteryl gamma-linolenate 
cholesteryl nonadecanoate 
chrysin +   
chrysophanol +   
cilostazol  
cinaciguat  
cinalukast 
cis-9-nonadecenoic acid 
cisatracurium +   
cisatracurium besylate 
cladofulvin 
cladoniamide +  
clarinoside 
clenbuterol +   
clenbuterol hydrochloride +  
cleomiscosin A 
clitidine 
clonixin 
clonixin lysine salt 
clopidogrel carboxylic acid 
clorprenaline  
CNDAC +  
colossolactone V 
colossolactone VII 
colterol 
columbianadin 
compactin diol lactone 
conferol A 
conferol B 
confertin 
convallatoxin 
cordysinin A 
cordysinin B 
cordysinin C 
cordysinin D 
CORM 3 
cortisol +   
cotinine N-oxide 
coumestrol +   
crassumolide A 
cromoglycic acid 
cryptolepine  
cspyrone B1 
cudraflavone B  
cudratricusxanthone A 
culmorin 
curcumin +   
curvularol 
cyathusal A 
cyathusal B 
cyathusal C 
cyclandelate 
cyclo(L-His-L-Pro) 
cycloaraneosene 
cyclobenzaprine +   
cyclobenzaprine hydrochloride 
cyclomontanin A 
cyclomontanin C 
cyclomontanin D 
cyclooctasulfur 
cyclosporin A +   
cyclosporin A metabolite M1 +  
cyclosporin A metabolite M10 
cyclosporin A metabolite M13 
cyclosporin A metabolite M16 +  
cyclosporin A metabolite M17 +  
cyclosporin A metabolite M18 +  
cyclosporin A metabolite M1A 
cyclosporin A metabolite M1cAL 
cyclosporin A metabolite M21 +  
cyclosporin A metabolite M25 
cyclosporin A metabolite M26 
cyclosporin A metabolite M8 +  
cyclosporin A metabolite M9 
cytochalasan alkaloid +   
D-glucose-(13)C6 
D-iditol 
D-lysinate 
D-lysine +  
D-lysinium(1+) +  
D-lysinium(2+) 
D617 
dantrolene  
dantrolene sodium hemiheptahydrate 
decamethonium  
decane-1,2-diol 
decanoic acid +   
dehydro-D-arabinono-1,4-lactone 
dehydrodiconiferyl alcohol +  
dehydroeburiconic acid 
Delta(6)-protoilludene 
Delta(9)-tetrahydrocannabinolic acid  
demethoxycurcumin  
demethylzeylasteral 
deoxycholic acid +   
deoxyfuconojirimycin 
deoxyherqueinone 
deoxyherqueinone(1-) 
depudecin +  
desmethyl loperamide 
desmethyldoxepin +  
desmethylnaproxen  
desmethylnaproxen sulfate 
desmethylnaproxen(1-) 
desmethylranitidine 
devapamil 
diallyl trisulfide  
diazoxide  
dichlorodiaportinolide 
diclofenac beta-D-glucosiduronic acid 
didesethylflurazepam 
dihydrocanadensolide 
dihydroergocristine +  
dihydroergocristine mesylate +  
dihydropyriculariol 
dihydropyriculol 
dihydrostemphyloxin I 
diinsinin 
diinsininol 
diltiazem  
diltiazem hydrochloride 
diltiazem(1+) +  
dimethyl fumarate  
dinitrogen oxide  
dioscin  
diosmin  
dioxoaminopyrine 
diphemanil methylsulfate 
dipsacussaponin A 
dipyridamole  
disodium cromoglycate  
divarinol 
djalonensone 
dopamine 3-O-sulfate 
dopamine 3-O-sulfate zwitterion 
dopamine 4-O-sulfate 
dopamine 4-O-sulfate zwitterion 
doramapimod  
dotarizine 
doxacurium +  
doxacurium chloride 
doxazosin +   
doxofylline 
doxorubicinol 
DPCPX  
dustanin 
dyphylline +  
eburicol 
EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor +   
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor +   
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor +   
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor +   
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor +   
efonidipine 
egonol beta-D-glucoside 
EHNA +  
EI-1511-3 
EI-1511-5 
EI-1625-2 
ellagic acid +   
emodin anthrone +   
enprofylline +  
eperisone 
epi-maslinic acid 
epicatechin 3-O-(3'-O-methylgallate) 
epichlicin 
epoxyazadiradione +  
epsilon-caprolactam +  
equisetin 
ergolide 
ergoloid mesylate 
ergometrine +  
ergosine  
ergosta-4,6,8(14),22-tetraen-3-one  
ergosterol +   
ergothioneine +   
ergothioneine thione form 
erythrityl tetranitrate 
erythroglaucin 
ethisterone 
ethyl arachidonate 
ethyl linoleate 
ethyl trans-caffeate  
etiocholanolone 3-glucuronide 
etiocholanolone 3-glucuronide(1-) 
eugenol +   
eupatilin  
eupatorin  
F-9775A 
F-9775B 
fangchinoline  
farnesol +   
fellutamide C 
fellutamide D 
felodipine  
fenofibric acid 
fenoldopam  
fenoterol +   
fenoterol hydrobromide 
ferrirubin 
ferulic acid +   
fisetin +   
flavalin A 
flavokawain B  
floribundasaponin A 
flunisolide  
fluticasone +   
fluticasone furoate +  
fluticasone propionate 
flutropium +  
flutropium bromide 
fomitoside E 
fomitoside F 
formoterol 
formoterol fumarate +   
forskoditerpenoside C 
forskoditerpenoside D 
forskoditerpenoside E 
FR171456 
fraxetin +   
fumagillin +   
fungal xenobiotic metabolite +   
fungisterol 
fusaripeptide A 
fusarithioamide A 
galactosaminogalactan 
galactoxylomannan 
gallamine 
gamma-caprolactone 
gamma-carotene +  
gamma-octalactone 
ganoderol B  
ganodesterone 
Genipin  
gentisyl alcohol 
geranyl acetoacetate 
gibberellin A15 (lactone form) +  
ginsenoside C-K  
ginsenoside Re  
glomosporin 
Glu-Trp 
glycinexylidide +  
glycitein +   
glycoursodeoxycholic acid  
glycyrrhetinic acid +   
gordonoside I 
gordonoside J 
gordonoside K 
gordonoside L 
gordonoside M 
gordonoside N 
gordonoside O 
gordonoside P 
graminone B 
grandiflorenic acid 
graveolide 
GS-441524 +   
GS-441524 monophosphate 
GS-443902 
guignardone N 
hederagenin 28-O-beta-D-glucopyranoside 
helenalin  
helvolic acid +  
helvolic acid methyl ester 
hercynylcysteine sulfoxide 
hercynylselenocysteine 
hexyl isocyanate 
hispidin  
hispidulin  
hopane-6beta,11alpha,22,27-tetraol 
hopane-6beta,7beta,22-triol 
HU-308  
hyalodendriol C 
hydralazine +   
hydralazine hydrochloride 
hydrogen sulfide +   
hydroxy torasemide 
hydroxyalbendazole 
hydroxyfenbendazole 
hydroxysafflor yellow A  
hydroxyurea  
hypaphorine 
hyperforin  
hypothemycin 
icariside II  
Ile(5)-angiotensin II (1-7) 
ilicicolin +  
ilomastat  
iloprost  
imidaprilat  
immunological adjuvant +   
immunosuppressive agent +   
indacaterol 
indacaterol maleate +  
indicanone 
indole-3-acetamide 
indometacin +   
inuchinenolide B 
inuchinenolide C 
inuviscolide 
ipratropium bromide +  
ipratropium bromide hydrate 
irilone +   
isoaigialone B 
isoamyl nitrite 
isobutrin 
isoprenaline  
isosorbide dinitrate  
isosorbide mononitrate  
isotetrahydroauroglaucin 
itaconate(2-) 
itaconic acid +  
ixazomib +   
jaceosidin  
JQ1 
julichrome Q6 +  
JWH-133 
kaempferol +   
kaempferol 3,7-di-O-alpha-L-rhamnoside 
kahweol  
kalopanaxsaponin A  
kalopanaxsaponin B 
kalopanaxsaponin C 
ketotifen  
ketotifen fumarate 
khellin 
klymollin C 
klymollin D 
klymollin E 
klymollin F 
klymollin G 
klymollin H 
kurarinol  
kuwanone G  
L-beta-ethynylserine 
L-iditol 
L-proline betaine 
lenalidomide  
leukotriene B5  
levamisole +   
levosimendan 
lificiguat 
linoleate +  
liquiritin  
loganin +   
lupulin A 
luteolin +   
macabarterin 
madecassoside  
magnoshinin 
mallotophilippen A 
mallotophilippen B 
mallotophilippen C 
mallotophilippen D 
mangiferin  
mannioside A 
mannoprotein +  
maslinic acid +   
meso-3,3'-didemethoxynectandrin B 
meso-zeaxanthin 
methacholine +   
methemoglobin 
methocarbamol 
methoxyphenamine +  
methyl 3,4,5-trihydroxybenzoate  
methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid 
methyl arachidonate +  
methyl brevifolincarboxylate 
methyl N-methylanthranilate 
mevastatin +   
mevinolinic acid 
midazolam +   
midazolam hydrochloride 
milrinone  
miltefosine  
minabeolide 1 
minabeolide 2 
minabeolide 4 
minabeolide 5 
minabeolide 8 
minoxidil  
ML-236C +  
monacolin J +  
monacolin J acid 
monascin  
monoethylglycinexylidide +   
monotropein  
montelukast +   
morin  
morphine +   
mucidin 
multifidol glucoside 
muscimol  
mycotoxin +   
myriocin  
myrsinoic acid A 
myrsinoic acid B 
myrsinoic acid C 
myrsinoic acid F 
N(alpha),N(alpha)-dimethyl-L-histidine 
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide 
N(alpha)-(L-gamma-glutamyl)-hercynyl-L-selenocysteine 
N,N-didesmethylvenlafaxine 
N,O-didesmethylvenlafaxine 
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol) 
N-acetyl-1-methyl-L-histidinate 
N-acetyl-1-methyl-L-histidine 
N-acetyl-3-methyl-L-histidinate 
N-acetyl-3-methyl-L-histidine 
N-acetylsulfamethoxazole 
N-arachidonoyl-L-serine 
N-arachidonoylserotonin 
N-benzoyl-L-phenylalaninol +   
N-benzoylglycine +   
N-desmethylvenlafaxine 
N-docosanoylglycine 
N-ethyl-5'-carboxamidoadenosine  
N-hexacosanoylglycine 
N-hexadecanoylsphingosine  
N-isovaleryl-L-alanine 
N-isovalerylsarcosine 
N-myristoylglycine +  
N-oleoyltaurine 
n-pentyl nitrite 
N-tetracosanoylglycine 
naringin  
narirutin 
nebivolol  
nebivolol hydrochloride +  
nebularine 
nectriapyrone +  
nectriapyrone D 
nedocromil  
nelociguat 
neophytadiene 
neosartoricin 
nicorandil  
nicotinamide +   
nicotine +   
nicotinic acid +   
nifedipine  
nimodipine  
nisoldipine  
nitrazepam +   
nitrendipine  
nitric oxide  
nitroflurbiprofen  
nitroglycerin  
nitroproston 
nitrososulfadiazine 
nitrososulfapyridine 
NK372135C 
nonadecanoate 
nonadecanoic acid +  
nor-toralactone +  
norbaeocystin 
norfentanyl 
norlichexanthone 
norsolorinic acid 
norsolorinic acid anthrone 
nortriptyline  
norverapamil  
O-desethyl candesartan 
O-desmethylvenlafaxine 
oct-1-en-3-ol +  
oleocanthal 
oleuropein +   
oleuropein aglycone 
olodaterol  
olodaterol hydrochloride +  
ombuin 
omega-hydroxyfinasteride 
ophiobolin F 
orciprenaline  
orobol +  
orotidine 
orphenadrine +   
orphenadrine citrate 
orphenadrine hydrochloride 
ospemifene  
oxidopamine  
oxybutynin +   
oxyphenbutazone +   
oxytocin  
p-hydroxyhippurate 
p-hydroxyhippuric acid 
paliperidone 
palmariol B 
palmarumycin C8 
palmitoleamide 
palmitoleic acid +   
palmitoleoyl ethanolamide 
pancuronium +   
pancuronium bromide 
papaverine  
paracetamol +   
paracetamol sulfate +   
partial prostacyclin agonist +  
Penicillium metabolite +   
pentadecanoic acid +  
pentaerythritol tetranitrate  
pentamidine  
pentyl propanoate 
perindoprilat 
petasin 
PH 797804 
Phe-Phe 
phelligridimer A 
phelligridin G 
phenethyl caffeate  
phenguignardic acid 
phentolamine  
phomacin A 
phomacin B 
phomalevone A 
phomalevone B 
phomalevone C 
physcion +   
piclamilast  
pimobendan  
pindolol +   
pinellic acid 
pinocembrin +   
piperine  
piperlactam S 
PMX-205 
pneumocandin B0 +   
pneumocysterol 
pomalidomide  
poricoic acid A 
poricoic acid C 
poricoic acid G 
poricoic acid H 
praliciguat 
prednisolone +   
prednisolone phosphate 
prednisolone sodium phosphate 
pridinol  
procainamide 4-hydroxylamine 
procyanidin B1 +  
procyanidin B3 +   
procyanidin C1 
proglumide +  
promazine sulfoxide 
propranolol +   
propyl propionate 
prostaglandin E1 +   
protectin D1 +  
prunetin +   
pseudoephedrine 
psilocin +  
psilocybin 
psilocybin(1-) 
pterolinus A 
pterolinus B 
pterolinus D 
pyrazine-2-carboxylic acid  
pyriculariol 
pyriculol +  
pyridine N-oxide +   
pyridoxatin 
quillaic acid +  
quillaic acid alpha-L-Arap-(1->4)-alpha-L-Arap-(1->3)-beta-D-Xylp-(1->4)-alpha-L-Rhap-(1->2)-beta-D-fucopyranosyl ester 
quinaprilat  
quinine +   
quinine(1+) +   
R24 
rac-lisofylline 
rac-nortilidine 
ramiprilat  
ranitidine N-oxide 
ranitidine-S-oxide 
rataniaphenol I 
rataniaphenol II 
rataniaphenol III 
rel-2alpha,3alpha,23-trihydroxy-19-oxo-18,19-seco-urs-11,13(18)-dien-28-oic acid 
rel-2alpha,3beta,23-trihydroxy-19-oxo-18,19-seco-12,17-dien-28-norursane 
rel-hopan-27-al-6beta,11alpha,22-triol 
resolvin D1  
resolvin D1(1-) 
resolvin D2  
resolvin D3 
resolvin D4 
resolvin D5 
resolvin D6 
resolvin E1 
resolvin E1(1-) 
resolvin E2 
resolvin E3 
resolvin T1 
resolvin T2 
resolvin T3 
resolvin T4 
rhamnetin 
rhizopycnolide A 
rhodotorulic acid  
ritalinic acid  
ritropirronium bromide +  
rocuronium +   
rocuronium bromide 
roflumilast  
rolipram +   
rosuvastatin  
rosuvastatin calcium  
rubimaillin  
rubrofusarin +  
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate 
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine 
S-nitroso-L-cysteine +   
S-nitroso-N-acetyl-D-penicillamine  
S-nitrosoglutathione  
Saccharomyces cerevisiae metabolite +   
saintopin 
salmeterol 
salvianolic acid B  
sappanchalcone  
SB220025 
sclerodol B 
scullcapflavone II 
SDZ 90-215 
selenoneine 
selexipag 
semiviriditoxin +  
Sg17-1-4 
Siccanin 
sieboldianoside A 
sigmoidin A 
sigmoidin B 
sildenafil +   
sildenafil citrate  
sirtinol  
SN-38 +   
SN-38 carboxylic acid 
sodium 8-bromo-3',5'-cyclic GMP 
sodium aurothiomalate  
sodium ferulate 
sodium nitroprusside +  
sodium nitroprusside dihydrate 
solasodine  
somatostatin-28 
sordaricin 
spathulenol  
specialised pro-resolving mediator +   
sphingosine 1-phosphate  
spiraprilat +   
sporothriolide 
stellata-2,6,19-triene 
stemphyloxin I +  
stemphyloxin II 
stemphyperylenol 
stevioside +   
stigmasterol 3-O-acetate 
Stiolto Respimat 
strobilurin B 
succinylcholine +   
succinylcholine chloride (anhydrous) +  
succinylcholine chloride dihydrate 
sulfadiazine hydroxylamine 
sulfapyridine hydroxylamine 
sulmazole 
sunitinib +   
swertisin 
tadalafil  
talosin A 
TAN-1612 
taraxasterol 
tauroursodeoxycholic acid  
TDZD-8 
tectorigenin +   
tedizolid 
tenofovir (anhydrous) +   
tepoxalin  
terbutaline +   
teriflunomide  
tetraacetic acid lactone 
tetradecanoic-d27 acid 
tetramethylpyrazine  
theobromine  
theophylline +   
A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea.
tideglusib 
tilorone 
tilorone dihydrochloride 
tiotropium 
tiotropium bromide  
tiotropium bromide hydrate +  
tizanidine  
TMC-52A 
TMC-52C 
TMC-52D 
TMC-95A 
TMC-95B 
TMC-95C 
TMC-95D 
tolazoline  
tolterodine +   
toluquinol 
tolypodiol 
tomelukast  
torasemide carboxylic acid 
trabectedin  
trachyspic acid 
trandolaprilat 
tranilast  
trapoxin A 
treprostinil +   
triacsin C  
trilobatin 
trimethaphan +   
triptonide  
triptriolide 
troglitazone  
tropisetron  
tropisetron hydrochloride 
tsugarioside C 
tubocurarine  
tyrphostin B42  
U69593  
urethane  
uridine +   
Utibron Neohaler 
vardenafil 
vecuronium +   
vecuronium bromide  
verapamil  
vericiguat 
vestitol +  
vilanterol +  
vilanterol trifenate +  
vincamine  
viridicatumtoxin 
visnagin 
WF14865A 
WF14865B 
WR-1065  
xylazine  
xylazine hydrochloride 
YW3548 
zaragozic acid A +   
zaragozic acid C 
zardaverine  
zearalenone  
zeorin 
zerumbone +   
zhankuic acid A +  
zileuton  
zingerone  
zofenopril 
zofenopril calcium 
zofenoprilat 
zofenoprilat arginine 

Synonyms
Exact Synonyms: 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Related Synonyms: 1,3-Dimethylxanthine ;   1,3-dimethyl-7H-purine-2,6-dione ;   Elixophyllin ;   Formula=C7H8N4O2 ;   InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ;   InChIKey=ZFXYFBGIUFBOJW-UHFFFAOYSA-N ;   Respbid ;   SMILES=Cn1c2nc[nH]c2c(=O)n(C)c1=O ;   Theo-Dur ;   Theolair ;   Theophyllin ;   Uniphyl ;   theophylline anhydrous
Alternate IDs: CHEBI:26940 ;   CHEBI:45950 ;   CHEBI:9523
Xrefs: Beilstein:13463 ;   CAS:58-55-9 ;   DrugBank:DB00277 ;   Drug_Central:2620 ;   Gmelin:51226 ;   HMDB:HMDB0001889 ;   KEGG:C07130 ;   KEGG:D00371 ;   KNApSAcK:C00001510
Xref Mesh: MESH:D013806
Xrefs: MetaCyc:CPD-12479 ;   PDBeChem:TEP ;   PMID:10796631 ;   PMID:10836323 ;   PMID:10893702 ;   PMID:10921764 ;   PMID:11126990 ;   PMID:11170036 ;   PMID:11200776 ;   PMID:11261527 ;   PMID:11408152 ;   PMID:11826912 ;   PMID:11848250 ;   PMID:11941393 ;   PMID:11949272 ;   PMID:11950649 ;   PMID:12531775 ;   PMID:12836095 ;   PMID:14517178 ;   PMID:14713563 ;   PMID:14988770 ;   PMID:15005370 ;   PMID:15042504 ;   PMID:15202575 ;   PMID:15317832 ;   PMID:15356646 ;   PMID:15483348 ;   PMID:15739418 ;   PMID:15829161 ;   PMID:15902964 ;   PMID:15908149 ;   PMID:16083514 ;   PMID:16651698 ;   PMID:16930490 ;   PMID:17130682 ;   PMID:17207928 ;   PMID:18307508 ;   PMID:18800032 ;   PMID:19559058 ;   PMID:19727789 ;   PMID:19845735 ;   PMID:19888960 ;   PMID:21467671 ;   PMID:21796703 ;   PMID:21834615 ;   PMID:22377744 ;   PMID:22541679 ;   PMID:22541837 ;   PMID:22702215 ;   PMID:22770225 ;   PMID:22771369 ;   PMID:22836872 ;   PMID:22909172 ;   PMID:22915350 ;   PMID:22981724 ;   PMID:7302609 ;   PMID:7389811 ;   PMID:7656958 ;   PMID:7767539 ;   PMID:8730732 ;   PMID:8960878 ;   PMID:9256615 ;   Reaxys:13463 ;   VSDB:1801 ;   Wikipedia:Theophylline

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.