PhytoHub: Showing entry for Cocoa

Cocoa

Group:: Cocoa and cocoa products

Identification

Name: Cocoa
ID: 345
Food group: Cocoa and cocoa products

Synonyms

No Synonyms

External Links

No external links

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
(-)-Epicatechin	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Procyanidin dimer B1	O[[email protected]]1CC2=C(O)C=C(O)C([[email protected]@H]3[[email protected]@H](O)[[email protected]](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[[email protected]@H]1C1=CC=C(O)C(O)=C1	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
(+)-Catechin	O[[email protected]]1CC2=C(O)C=C(O)C=C2O[[email protected]@H]1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Procyanidin dimer B2	[H][[email protected]]1([[email protected]@H](O)[[email protected]](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[[email protected]@H]([[email protected]](O)C2)C1=CC(O)=C(O)C=C1	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Publications	Show
Caffeoyl aspartic acid	OC(=O)CC(NC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O	279.074287143	C₁₃H₁₃NO₆	Polyphenols	Phenolic acids	Publications	Show
Cinnamtannin A2	O[[email protected]@H]1CC2=C(O)C=C(O)C([[email protected]@H]3[[email protected]@H](O)[[email protected]](OC4=C([[email protected]@H]5[[email protected]@H](O)[[email protected]](OC6=C([[email protected]@H]7[[email protected]@H](O)[[email protected]](OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[[email protected]@H]1C1=CC=C(O)C(O)=C1	1154.26920249	C₆₀H₅₀O₂₄	Polyphenols	Flavonoids	Publications	Show
Procyanidin trimer C1	[H][[email protected]]1([[email protected]@H](O)[[email protected]](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C2O[[email protected]@H]([[email protected]](O)[[email protected]@]([H])(C3=C(O)C=C(O)C4=C3O[[email protected]@H]([[email protected]](O)C4)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1	866.205814384	C₄₅H₃₈O₁₈	Polyphenols	Flavonoids	Publications	Show
cyclo(pro-val)	CC(C)C1NC(=O)C2CCCN2C1=O	196.121177763	C₁₀H₁₆N₂O₂	N-containing compounds	Amino acids	Publications	Show
Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Publications	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Publications	Show
N-Cinnamyol-L-aspartic acid	OC(=O)CC(NC(=O)\C=C\C1=CC=CC=C1)C(O)=O	263.079372523	C₁₃H₁₃NO₅		Not Available	Publications	Show
N-Caffeoyl-L-glutamic acid	OC(=O)CCC(NC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O	309.084851827	C₁₄H₁₅NO₇		Not Available	Publications	Show
N-Caffeoyl-3-O-hydroxytyrosine	OC(=O)[[email protected]@H](NC(=O)/C=C/C1=CC(O)=C(O)C=C1)CC2=CC(O)=C(O)C=C2	359.100501891	C₁₈H₁₇NO₇		Not Available	Publications	Show
Coumaroyl tyrosine (p-)	OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)\C=C\C1=CC=C(O)C=C1	327.110672651	C₁₈H₁₇NO₅	Polyphenols	Phenolic acids	Publications	Show
Procyanidin dimer B5	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(O)=C1)C=C(O)C([[email protected]@H]1[[email protected]@H](O)[[email protected]](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
Isoquercitrin	OC[[email protected]]1O[[email protected]@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[[email protected]](O)[[email protected]@H](O)[[email protected]@H]1O	464.095476084	C₂₁H₂₀O₁₂	Polyphenols	Flavonoids	Publications	Show
Avicularin	O[[email protected]]1CO[[email protected]@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[[email protected]](O)[[email protected]]1O	434.0849114	C₂₀H₁₈O₁₁	Polyphenols	Flavonoids	Publications	Show
Cocoa purines				N-containing compounds	Alkaloids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
(-)-Epicatechin-7-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol 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	Polyphenols	Flavonoids	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294311	C₁₁H₁₄O₃	Polyphenols	Flavonoids	Show
Methyl-(-)-epicatechin sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
Methyl-(-)-epicatechin sulfoglucuronide		560.4882003	C₂₂H₂₄O₁₅S	Polyphenols	Flavonoids	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	Polyphenols	Flavonoids	Show
(-)-Epicatechin-5-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl-epicatechin-5-O-glucuronide	COC1=CC(CC=C1O)[[email protected]]1OC2=CC(O)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2C[[email protected]]1O	482.142426277	C₂₂H₂₆O₁₂	Polyphenols	Polyphenol 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 3'-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl-epicatechin	COC1=CC(=CC=C1O)[[email protected]]1OC2=C(C[[email protected]]1O)C(O)=CC(O)=C2	304.094688235	C₁₆H₁₆O₆	Polyphenols	Polyphenol 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	Polyphenols	Polyphenol metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid	OC(CCC(O)=O)CC1=CC=CC(O)=C1	210.089208931	C₁₁H₁₄O₄	Polyphenols	Flavonoids	Show
5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS([O-])(=O)=O)=C1	289.038747513	C₁₁H₁₃O₇S	Polyphenols	Polyphenol metabolites	Show
5-(Phenyl)-gamma-valerolactone-3'-sulfate	[O-]S(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1	271.028182828	C₁₁H₁₁O₆S	Polyphenols	Polyphenol metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1	232.976147255	C₇H₅O₇S	(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	261.007447384	C₉H₉O₇S	(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	Polyphenols	Polyphenol metabolites	Show
5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate	OC1=CC=C(C[[email protected]]2CCC(=O)O2)C=C1OS([O-])(=O)=O	287.023097448	C₁₁H₁₁O₇S	Polyphenols	Polyphenol metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Not Available	Show
3'-Methyl-epicatechin-7-O-glucuronide	COC1=CC(=CC=C1O)[[email protected]]1OC2=C(C[[email protected]]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2	480.126776213	C₂₂H₂₄O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
4'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
(-)-Epicatechin 3'-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(O)C=C2O[[email protected]]1([H])C1=CC(OS(O)(=O)=O)=C(O)C=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 4'-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(-)-Epicatechin 4'-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(O)C=C2O[[email protected]]1([H])C1=CC(O)=C(OS(O)(=O)=O)C=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 5-O-sulfate	[H][[email protected]@]1(O)CC2=C(O[[email protected]]1([H])C1=CC(O)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	Show
(-)-Epicatechin 7-O-glucuronide	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(O)C=C1)C=C(OC1C(O)OC(C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin glucuronide		466.3989068	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(-)-Epicatechin sulfoglucuronide		546.4612115	C₂₁H₂₂O₁₅S	Polyphenols	Flavonoids	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	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	Polyphenols	Flavonoids	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][[email protected]@]1(O)CC2=C(O)C=C(O)C=C2O[[email protected]]1([H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][[email protected]@]1(O)CC2=C(O[[email protected]]1([H])C1=CC(OC)=C(O)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[[email protected]]1([H])C1=CC(OC)=C(O)C=C1	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	Polyphenols	Flavonoids	Show
3'-O-Methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
4'-O-Methyl-(-)-epicatechin 5-O-sulfate	[H][[email protected]@]1(O)CC2=C(O[[email protected]]1([H])C1=CC(O)=C(OC)C=C1)C=C(O)C=C2OS(O)(=O)=O	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
4'-O-Methyl-(-)-epicatechin 7-O-sulfate	[H][[email protected]@]1(O)CC2=C(O)C=C(OS(O)(=O)=O)C=C2O[[email protected]]1([H])C1=CC(O)=C(OC)C=C1	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Polyphenol metabolites	Show
4'-O-methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Not Available	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	Polyphenols	Flavonoids	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
1-methylxanthine	CN1C(=O)NC2=C(NC=N2)C1=O	166.049075449	C₆H₆N₄O₂	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
(-)-Epicatechin	O[[email protected]@H]1CC2=C(O[[email protected]@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
Hydroxyprocyanidin B2		594.5294478	C₃₀H₂₆O₁₃	Polyphenols	Flavonoids	Show
5-(3'-Hydroxyphenyl)-gamma-valerolactone	OC1=CC=CC(CC2CCC(=O)O2)=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Flavonoids	Show
(Epi)catechin	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.052429498	C₈H₈O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294311	C₁₁H₁₄O₃	Polyphenols	Flavonoids	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC(O)=C(O)C=C1	210.089208931	C₁₁H₁₄O₄	Polyphenols	Flavonoids	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
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344118	C₈H₈O₃	(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-(3',4'-Dihydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	Polyphenols	Flavonoids	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	Polyphenols	Flavonoids	Show
(Epi)catechin	OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Show

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