PhytoHub: Showing entry for Chocolate

Chocolate

Group:: Cocoa and cocoa products

Identification

Name: Chocolate
ID: 35
Food group: Cocoa and cocoa products

Synonyms

No Synonyms

External Links

FooDB (Foods): 709

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Avenasterol (delta5-)	C\C=C(\CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	412.370516166	C₂₉H₄₈O	Terpenoids	Phytosterols	Publications	Show
Campestanol	CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	402.38616623	C₂₈H₅₀O	Terpenoids	Phytosterols	Publications	Show
Campesterol	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C	400.370516166	C₂₈H₄₈O	Terpenoids	Phytosterols	Publications	Show
Sitostanol-beta	CC[C@H](CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	416.401816294	C₂₉H₅₂O	Terpenoids	Phytosterols	Publications	Show
Sitosterol-beta	CC[C@H](CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	414.38616623	C₂₉H₅₀O	Terpenoids	Phytosterols	Publications	Show
Stigmasterol	CC[C@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	412.370516166	C₂₉H₄₈O	Terpenoids	Phytosterols	Publications	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Publications	Show
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Publications	Show
(-)-Epicatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Publications	Show
(+)-Catechin	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
(-)-Epicatechin	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
(-)-Epicatechin 3'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 3'-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OS(O)(=O)=O)=C(O)C=C1	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 4'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 4'-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(O)=C(OS(O)(=O)=O)C=C1	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 5-O-sulfate	[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin 7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(OC1C(O)OC(C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin glucuronide		466.3989068	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin sulfoglucuronide		546.4612115	C₂₁H₂₂O₁₅S	(Poly)phenol metabolites	Flavonoid metabolites	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol	OC(CC1=CC(O)=C(O)C=C1)CC1=C(O)C=C(O)C=C1O	292.094688235	C₁₅H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	(Poly)phenol metabolites	Flavonoid metabolites	Show
3-(3',4'-Dihydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3'-O-Methyl-(-)-epicatechin 4'-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(OC)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][C@@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][C@@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1	384.051503269	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294311	C₁₁H₁₄O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methyl-(-)-epicatechin sulfate		384.3623408	C₁₆H₁₆O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methyl-(-)-epicatechin sulfoglucuronide		560.4882003	C₂₂H₂₄O₁₅S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.052429498	C₈H₈O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-valerolactone	OC1=CC=CC(CC2CCC(=O)O2)=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
3-(3'-Hydroxyphenyl)hydracrylic acid	OC(CC(O)=O)C1=CC(O)=CC=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
(-)-Epicatechin-5-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide	COC1=CC(=CC=C1O)[C@H]1OC2=CC(O)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2C[C@H]1O	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide	OC(CCC(O)=O)CC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=C1	402.116211528	C₁₇H₂₂O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
(-)-Epicatechin-7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-O-Methyl-epicatechin	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	304.094688235	C₁₆H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide	COC1=CC(CC(O)CCC(O)=O)=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O	416.131861593	C₁₈H₂₄O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid	OC(CCC(O)=O)CC1=CC=CC(O)=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1	290.046023965	C₁₁H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-gamma-valerolactone-3'-sulfate	OS(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1	272.03545928	C₁₁H₁₂O₆S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS(O)(=O)=O)=C1	233.983423707	C₇H₆O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	OC(=O)CCC1=CC=C(O)C(OS(O)(=O)=O)=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide	OC1C(O)C(OC2=CC=C(CC3CCC(=O)O3)C=C2O)OC(C1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate	OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1OS(O)(=O)=O	288.0303739	C₁₁H₁₂O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-Methyl-epicatechin-7-O-glucuronide	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=C(O)C=C1	306.040938585	C₁₁H₁₄O₈S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)-γ-valerolactone	OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1O	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate	OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O	288.0303739	C₁₁H₁₂O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2O)O[C@@H]([C@H]1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
(−)-Epicatechin-7-sulfate	O[C@@H]1CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	370.035853205	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3′-Methoxy-(−)-epicatechin-7-glucuronide	[H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-sulfate-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
Dihydroxyphenylacetic acid-sulfate				(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(Phenyl)-γ-valerolactone-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Hydroxyphenyl)-γ-valerolactone-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-3′,5′-disulfate	OS(=O)(=O)OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1	367.987188934	C₁₁H₁₂O₁₀S₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-4',5'-disulfate	OS(=O)(=O)OC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1	367.987188934	C₁₁H₁₂O₁₀S₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-methoxy-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Dihydroxyphenyl)-γ-valerolactone-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Dihydroxyphenyl)-γ-valerolactone-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Hydroxyphenyl)-γ-valerolactone-methoxy-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Hydroxyphenyl)-γ-valerolactone-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-methoxy-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-4′-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-3′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC=C2)OC([C@H]1O)C(O)=O	368.110732224	C₁₇H₂₀O₉	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate	OC1=CC(OS(O)(=O)=O)=CC(C[C@H]2CCC(=O)O2)=C1	288.0303739	C₁₁H₁₂O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(C[C@H]3CCC(=O)O3)=CC(O)=C2)OC([C@H]1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate	COC1=C(OS(O)(=O)=O)C=C(C[C@H]2CCC(=O)O2)C=C1	302.046023965	C₁₂H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate	COC1=CC(C[C@H]2CCC(=O)O2)=CC=C1OS(O)(=O)=O	302.046023965	C₁₂H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS(O)(=O)=O)=C1	290.046023965	C₁₁H₁₄O₇S	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-Methoxy-(−)-epicatechin-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3′-Hydroxyphenyl)-γ-valerolactone-4′-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C[C@H]3CCC(=O)O3)C=C2O)O[C@@H]([C@H]1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone	OC1=CC(C[C@H]2CCC(=O)O2)=CC(O)=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(−)-epicatechin-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-glucuronide	O[C@H](CCC(O)=O)CC1=CC=C(O)C(OC2OC(C(O)C(O)C2O)C(O)=O)=C1	402.116211528	C₁₇H₂₂O₁₁	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-valeric acid-sulfate-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxy-5-(phenyl)valeric acid-methoxy-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
3′-Methoxy-(−)-epicatechin-5′-glucuronide	[H][C@@]1(O)CC2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C(O)C=C2O[C@]1([H])C1=CC(OC)=C(O)C=C1	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(Phenyl)-γ-valerolactone-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
4′-methoxy-(−)-epicatechin-7-β-D-glucuronide	[H][C@@]1(O)CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@]1([H])C1=CC(O)=C(OC)C=C1	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
3'-Methoxy-(+)-catechin	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@@H]1O)C(O)=CC(O)=C2	304.094688235	C₁₆H₁₆O₆	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-glucuronide				(Poly)phenol metabolites	Flavonoid metabolites	Show
Methoxy-(epi)catechin-sulfate				(Poly)phenol metabolites	Flavonoid metabolites	Show
(+)-Catechin	O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558866	C₁₁H₁₂O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	(Poly)phenol metabolites	Flavonoid metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
3-Methyluric acid	CN1C2=C(NC(=O)N2)C(=O)NC1=O	182.043990069	C₆H₆N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil	CN1C(=O)N(C)C(=O)C(NC=O)=C1N	198.075290198	C₇H₁₀N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
6-Amino-5(N-methylformylamino)-1-methyluracil	CN(C=O)C1=C(N)N(C)C(=O)NC1=O	198.075290198	C₇H₁₀N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
7-methyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2	182.043990069	C₆H₆N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Show
Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
1,3-dimethyluric acid	CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O	196.059640134	C₇H₈N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
1,3,7-Trimethyluric acid	CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C	210.075290198	C₈H₁₀N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
1-methylxanthine	CN1C(=O)NC2=C(NC=N2)C1=O	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
5-acetyl-amino-6-amino-3-methyluracil	CN1C(=O)NC(N)=C(NC(C)=O)C1=O	198.075290198	C₇H₁₀N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
5-acetylamino-6-formylamino-3-methyluracil	CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O	226.070204818	C₈H₁₀N₄O₄	N-containing compound metabolites	Alkaloid metabolites	Show
Paraxanthine	CN1C=NC2=C1C(=O)N(C)C(=O)N2	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
1-methyluric acid	CN1C(=O)NC2=C(NC(=O)N2)C1=O	182.043990069	C₆H₆N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
1,7-dimethyluricacid	CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2	196.059640134	C₇H₈N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
3-methylxanthine	CN1C2=C(NC=N2)C(=O)NC1=O	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
7-methylxanthine	CN1C=NC2=C1C(=O)NC(=O)N2	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Piceid (cis-)	[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Dihydro-resveratrol	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1	230.094294311	C₁₄H₁₄O₃	Polyphenols	Stilbenes	Show
trans-Resveratrol 3-O-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol 3-O-sulfate	OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol-3-O-glucuronide	[H]\C(=C(\[H])C1=CC(O)=CC(OC2OC(C(O)C(O)C2O)C(O)=O)=C1)C1=CC=C(O)C=C1	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-resveratrol-5-O-glucuronide	OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,5-disulfate	OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	387.992274314	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,4′-disulfate	OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1	387.992274314	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide	OC1C(OC2=CC=C(\C=C\C3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O	580.142820202	C₂₆H₂₈O₁₅	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide	OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2)OC(C(O)C1O)C(O)=O	580.142820202	C₂₆H₂₈O₁₅	(Poly)phenol metabolites	Stilbene metabolites	Show
dihydro-piceid	OCC1OC(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O	392.147117733	C₂₀H₂₄O₈	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol-sulfate		308.0355	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol sulfate		310.0511	C₁₄H₁₄O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceatannol	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1	244.073558866	C₁₄H₁₂O₄	Polyphenols	Stilbenes	Show
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Resveratrol (cis-)	[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
Dihydro-resveratrol	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1	230.094294311	C₁₄H₁₄O₃	Polyphenols	Stilbenes	Show
trans-Resveratrol 3-O-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol 3-O-sulfate	OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-3-O-glucuronide	OC1C(O)C(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)OC(C1O)C(O)=O	406.126382288	C₂₀H₂₂O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-3-O-sulfate	OC1=CC=C(CCC2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1	310.051109345	C₁₄H₁₄O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-resveratrol-5-O-glucuronide	OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol-4′-O-sulfate	OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol sulfoglucuronide		484.068	C₂₀H₂₀O₁₂S	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,5-disulfate	OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	387.992274314	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,4′-disulfate	OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1	387.992274314	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-Resveratrol-3,4′,5-trisulfate	OS(=O)(=O)OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	467.949089348	C₁₄H₁₂O₁₂S₃	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-trisulfate		469.965	C₁₄H₁₄O₁₂S₃	(Poly)phenol metabolites	Stilbene metabolites	Show
Resveratrol ribosyl sulfate		440.078	C₁₉H₂₀O₁₀S	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-3,5-diglucuronide	OC1C(O)C(OC2=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(CCC3=CC=C(O)C=C3)=C2)OC(C1O)C(O)=O	582.158470266	C₂₆H₃₀O₁₅	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-sulfoglucuronide		486.083	C₂₀H₂₂O₁₂S	(Poly)phenol metabolites	Stilbene metabolites	Show
5-methoxyresveratrol-3-O-β-glucoside	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(\C=C\C2=CC=C(O)C=C2)=C1	404.147117733	C₂₁H₂₄O₈	(Poly)phenol metabolites	Stilbene metabolites	Show
5-methoxyresveratrol-3-O-sulfate	COC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(O)C=C2)=C1	322.051109345	C₁₅H₁₄O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-disulfate	OC1=CC=C(CCC2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	390.007924379	C₁₄H₁₄O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
Resveratrol-glucoside-phosphate-glycerol	[H]C(O)(CO)COP(O)(=O)OC[C@@]1([H])OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	544.134577992	C₂₃H₂₉O₁₃P	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol-glucoside-phosphate	OC1C(COP(O)(O)=O)OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O	470.097798559	C₂₀H₂₃O₁₁P	(Poly)phenol metabolites	Stilbene metabolites	Show
Lunularin	OC1=CC=C(CCC2=CC=CC(O)=C2)C=C1	214.099379691	C₁₄H₁₄O₂	(Poly)phenol metabolites	Stilbene metabolites	Show
3,4'-dihydroxy-trans-stilbene	OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1	212.083729626	C₁₄H₁₂O₂	(Poly)phenol metabolites	Stilbene metabolites	Show
cis-Resveratrol-3-sulfate	OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
cis-Resveratrol-4'-sulfate	OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
cis-Resveratrol-3-O-glucuronide	OC1C(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
cis-Resveratrol-4'-O-glucuronide	OC1C(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
Resveratroloside	OCC1OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O	390.131467668	C₂₀H₂₂O₈	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol sulfate		310.0511	C₁₄H₁₄O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Dihydro-resveratrol-glucuronide		406.1264	C₂₀H₂₂O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
trans-resveratrol-4'-O-β-sulfate	OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.03545928	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Resveratrol disulfate		387.992	C₁₄H₁₂O₉S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol glucuronide		404.111	C₂₀H₂₀O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
resveratrol sulfate		308.035	C₁₄H₁₂O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Show
Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
1-methylxanthine	CN1C(=O)NC2=C(NC=N2)C1=O	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
3,7 dimethyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2C	196.059640134	C₇H₈N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
Paraxanthine	CN1C=NC2=C1C(=O)N(C)C(=O)N2	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
1,7-dimethyluricacid	CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2	196.059640134	C₇H₈N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
3-methylxanthine	CN1C2=C(NC=N2)C(=O)NC1=O	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
7-methylxanthine	CN1C=NC2=C1C(=O)NC(=O)N2	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
7-methyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2	182.043990069	C₆H₆N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
6-Amino-5(N-methylformylamino)-1-methyluracil	CN(C=O)C1=C(N)N(C)C(=O)NC1=O	198.075290198	C₇H₁₀N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show

Biomarkers of intake

No Biomarkers of intake found

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