PhytoHub: Showing entry for Coffee

Coffee

Group:: Coffee and coffee products

Identification

Name: Coffee
ID: 39
Food group: Coffee and coffee products

Synonyms

No Synonyms

External Links

ITIS: 35189
FooDB (Foods): 58

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
3'-O-beta-D-glucopyranosyl-2'-O-isovaleryl-2beta-(2-desoxy-atractyligenin)-beta-D-glucopyranoside	[H][C@]12C[C@@]3(CC[C@]4([H])[C@@H](C[C@H](C[C@@]4(C)[C@]3([H])CC1)OC1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1OC(=O)CC(C)C)C(O)=O)[C@@H](O)C2=C	728.361921103	C₃₆H₅₆O₁₅	Terpenoids	Diterpenoids	Publications	Show
Atractyligenin	[H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)C[C@H](O)C[C@H]2C(O)=O)C(=C)[C@@H]4O	320.198759382	C₁₉H₂₈O₄	Terpenoids	Diterpenoids	Publications	Show
Atractyligenin (2-O-beta-glucopyranosyl-)	[H][C@]12C[C@@]3(CC[C@]4([H])[C@@H](C[C@H](C[C@@]4(C)[C@]3([H])CC1)OC1O[C@H](CO)[C@@H](O)[C@H](C)[C@H]1O)C(O)=O)[C@@H](O)C2=C	480.272318248	C₂₆H₄₀O₈	Terpenoids	Diterpenoids	Publications	Show
Atractyloside	CC(C)CC(=O)OC1C(OC2CC(C3CCC45CC(CCC4C3(C)C2)C(=C)C5O)C(O)=O)OC(CO)C(OS(O)(=O)=O)C1OS(O)(=O)=O	726.222727749	C₃₀H₄₆O₁₆S₂	Terpenoids	Diterpenoids	Publications	Show
Cafestol	C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3	316.203844762	C₂₀H₂₈O₃	Terpenoids	Diterpenoids	Publications	Show
Carboxyatractyloside	CC(C)CC(=O)O[C@H]1[C@H](O[C@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O	770.212556989	C₃₁H₄₆O₁₈S₂	Terpenoids	Diterpenoids	Publications	Show
Kahweol	C[C@@]12C=CC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3	314.188194697	C₂₀H₂₆O₃	Terpenoids	Diterpenoids	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
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Publications	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC(O)=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
5-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Quinic acid	OC1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O	192.063388106	C₇H₁₂O₆	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Publications	Show
Piceatannol	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1	244.073558866	C₁₄H₁₂O₄	Polyphenols	Stilbenes	Publications	Show
Pterostilbene	[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(O)C=C1	256.109944375	C₁₆H₁₆O₃	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
Trigonelline	C[N+]1=CC=CC(=C1)C([O-])=O	137.047678469	C₇H₇NO₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
4-Ethylcatechol	CCC1=CC(O)=C(O)C=C1	138.068079562	C₈H₁₀O₂	Polyphenols	Miscellaneous polyphenols	Publications	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Publications	Show
4-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
3-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
5-Feruloylquinic acid	COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Publications	Show
4-Feruloylquinic acid	[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Publications	Show
3-Feruloylquinic acid	COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Publications	Show
3,4-Dicaffeoylquinic acid	OC1CC(O)(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O	516.126776213	C₂₅H₂₄O₁₂	Polyphenols	Phenolic acids	Publications	Show
4,5-Dicaffeoylquinic acid	OC1CC(O)(CC(OC(=O)\C=C\C2=CC(O)=C(O)C=C2)C1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O	516.126776213	C₂₅H₂₄O₁₂	Polyphenols	Phenolic acids	Publications	Show
3,5-Dicaffeoylquinic acid	OC1C(CC(O)(CC1OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)OC(=O)\C=C\C1=CC(O)=C(O)C=C1	516.126776213	C₂₅H₂₄O₁₂	Polyphenols	Phenolic acids	Publications	Show
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Catechol	OC1=C(O)C=CC=C1	110.036779433	C₆H₆O₂	Polyphenols	Miscellaneous polyphenols	Publications	Show
Melatonin	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1	232.121177763	C₁₃H₁₆N₂O₂	Miscellaneous phytochemicals	Not Available	Publications	Show
Bengalensol	C[C@@]12CC(=O)C3=C(CCO3)C1CC[C@]13CC4CC(O[C@]4(CO)C1)C23	330.183109317	C₂₀H₂₆O₄	Terpenoids	Diterpenoids	Publications	Show
Methylpyrazine	CC1=CN=CC=N1	94.053098201	C₅H₆N₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
2,5-dimethylpyrazine	CC1=CN=C(C)C=N1	108.068748266	C₆H₈N₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
2,6-dimethylpyrazine	CC1=CN=CC(C)=N1	108.068748266	C₆H₈N₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
Feruloylquinic acid	COC1=C(O)C=CC(C=CC(=O)OC(=O)C2(O)CC(O)C(O)C(O)C2)=C1	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Publications	Show
3-O-Caffeoyl-1,5-quinide	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC2(O)CC(OC2=O)C1O	336.084517475	C₁₆H₁₆O₈	Polyphenols	Phenolic acids	Publications	Show
4-O-Caffeoyl-1,5-quinide	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C2CC(O)(CC1O)C(=O)O2	336.084517475	C₁₆H₁₆O₈	Polyphenols	Phenolic acids	Publications	Show
1,3-trans-Tetrahydroxyphenylindan	CC1C[C@H](C2=C1C=C(O)C(O)=C2)C1=CC=C(O)C(O)=C1	272.104858995	C₁₆H₁₆O₄		Not Available	Publications	Show
1,3-cis-Tetrahydroxyphenylindan	CC1C[C@@H](C2=C1C=C(O)C(O)=C2)C1=CC=C(O)C(O)=C1	272.104858995	C₁₆H₁₆O₄		Not Available	Publications	Show
Nicotinic acid	OC(=O)C1=CC=CN=C1	123.032028405	C₆H₅NO₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
1-Methylpyridinium	C[N+]1=CC=CC=C1	94.065125682	C₆H₈N		Not Available	Publications	Show
1,2-Dimethylpyridinium	CC1=CC=CC=[N+]1C	108.080775746	C₇H₁₀N		Not Available	Publications	Show
16-O-Methylcafestol	CO[C@]1(CO)C[C@]23C[C@@H]1CC[C@H]2[C@]1(C)CCC2=C(C=CO2)[C@H]1CC3	330.219494826	C₂₁H₃₀O₃	Terpenoids	Diterpenoids	Publications	Show
Furfuryl mercaptan	SCC1=CC=CO1	114.013935987	C₅H₆OS		Not Available	Publications	Show
3-Hydroxy-4,5-dimethylfuran-2-one	CC1OC(=O)C(O)=C1C	128.047344118	C₆H₈O₃		Not Available	Publications	Show
4-Vinylguaiacol	COC1=C(O)C=CC(C=C)=C1	150.068079562	C₉H₁₀O₂	Polyphenols	Miscellaneous polyphenols	Publications	Show
2-Ethyl-3,5-dimethypyrazine	CCC1=C(C)N=C(C)C=N1	136.100048394	C₈H₁₂N₂		Not Available	Publications	Show
Isovaleraldehyde	[H]C(=O)CC(C)C	86.073164942	C₅H₁₀O		Not Available	Publications	Show
Kahweofuran	CC1=C2SCCC2=CO1	140.029586052	C₇H₈OS		Not Available	Publications	Show
Cyclo(pro-ile)	CCCC1NC(=O)C2CCCN2C1=O	196.121177763	C₁₀H₁₆N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
Cyclo(pro-leu)	CC(C)CC1NC(=O)C2CCCN2C1=O	210.136827828	C₁₁H₁₈N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
Cyclo(pro-phe)	O=C1NC(CC2=CC=CC=C2)C(=O)N2CCCC12	244.121177763	C₁₄H₁₆N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
Cyclo(pro-pro)	O=C1C2CCCN2C(=O)C2CCCN12	194.105527699	C₁₀H₁₄N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
cyclo(pro-val)	CC(C)C1NC(=O)C2CCCN2C1=O	196.121177763	C₁₀H₁₆N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
N-Methylpyridinium	C[N+]1=CC=CC=C1	94.065125682	C₆H₈N	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
Coffee pyrimidines				N-containing compounds	Alkaloids	Publications	Show
Nicotinamide	NC(=O)C1=CC=CN=C1	122.048012821	C₆H₆N₂O	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
N-Methylnicotinamide	CNC(=O)C1=CC=CN=C1	136.063662886	C₇H₈N₂O	N-containing compound metabolites	Miscellaneous N-containing compound metabolites	Publications	Show
N-Methyl-4-pyridone-5-carboxamide	CN1C=CC(=O)C(=C1)C(N)=O	152.058577506	C₇H₈N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Publications	Show
N-methyl-2-pyridone-5-carboxamide	CN1C=C(C=CC1=O)C(N)=O	152.058577506	C₇H₈N₂O₂	N-containing compound metabolites	Alkaloid metabolites	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
5-methylpyrazine-2-carboxylic acid	CC1=CN=C(C=N1)C(O)=O	138.042927441	C₆H₆N₂O₂	N-containing compounds	N-containing compound metabolites	Show
6-methylpyrazine-2-carboxylic acid	CC1=NC(=CN=C1)C(O)=O	138.042927441	C₆H₆N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Show
3-Feruloylquinic acid	COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Show
3-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Show
4-Feruloylquinic acid	[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Show
4-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1C(O)CC(O)(CC1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Show
5-Feruloylquinic acid	COC1=C(O)C=CC(\C=C\C(=O)OC2CC(O)(CC(O)C2O)C(O)=O)=C1	368.110732224	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
5-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(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-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
Cafestol	C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)C3	316.203844762	C₂₀H₂₈O₃	Terpenoids	Diterpenoids	Show
Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate)	C[C@@]12CC(O)C3=C(C(O)C(O3)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C1CC[C@@]13CC(CCC21)[C@@](O)(CO)C3	655.277480455	C₃₀H₄₅N₃O₁₁S	Terpenoid metabolites	Diterpenoid metabolites	Show
Cafestol (2-hydroxy-)	C[C@@]12CC(O)C3=C(C=CO3)C1CC[C@@]13C[C@H](CCC21)[C@@](O)(CO)C3	332.198759382	C₂₀H₂₈O₄	Terpenoid metabolites	Diterpenoid metabolites	Show
Cafestol (2-hydroxy-,3,4-epoxide)	C[C@@]12CC(O)C3=C(C4OC4O3)C1CC[C@@]13C[C@@H](CCC21)[C@@](O)(CO)C3	348.193674002	C₂₀H₂₈O₅	Terpenoid metabolites	Diterpenoid metabolites	Show
Cafestol glucuronide		492.5678392	C₂₆H₃₆O₉	Terpenoid metabolites	Diterpenoid metabolites	Show
Cafestol sulfate		396.5042844	C₂₀H₂₈O₆S	Terpenoid metabolites	Diterpenoid metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
p-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Catechol	OC1=C(O)C=CC=C1	110.036779433	C₆H₆O₂	Polyphenols	Miscellaneous polyphenols	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC(O)=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(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
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
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.052429498	C₈H₈O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079562	C₉H₁₀O₂	(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
Caffeic acid sulfoglucuronide		436.3485242	C₁₅H₁₆O₁₃S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O	370.08999678	C₁₆H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372523	C₁₂H₁₃NO₅	(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
Hydroxybenzoic acid		138.1230293	C₇H₆O₃	Polyphenols	Phenolic acids	Show
α-hydroxyhippuric acid	OC(NC(=O)C1=CC=CC=C1)C(O)=O	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxyphenylpropionic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Vanilloyl-glycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722458	C₁₀H₁₁NO₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3'-O-glucuronide	O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@H]([C@@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1	370.08999678	C₁₆H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroisoferulic acid	COC1=C(O)C=C(CCC(O)=O)C=C1	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroisoferulic acid-3'-glucuronide	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(CCC(O)=O)C=C1	372.105646844	C₁₆H₂₀O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1	372.105646844	C₁₆H₂₀O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1	276.0303739	C₁₀H₁₂O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Hydroxymandelic acid	OC(C(O)=O)C1=CC=C(O)C=C1	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3-sulfate	OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Caffeic acid 3'-sulfate	OC(=O)\C=C\C1=CC(OS(O)(=O)=O)=C(O)C=C1	259.999073772	C₉H₈O₇S	(Poly)phenol metabolites	Phenolic acid 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
caffeic acid-3'-O-glucuronide	OC1C(OC2=C(O)C=CC(\C=C\C(O)=O)=C2)OC(C(O)C1O)C(O)=O	356.074346715	C₁₅H₁₆O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
caffeic acid-4'-O-glucuronide	OC1C(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)OC(C(O)C1O)C(O)=O	356.074346715	C₁₅H₁₆O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
caffeic acid-4-O-sulfate	OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1	259.999073772	C₉H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3'-Methoxy-4'-hydroxyphenylacetic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxybenzoic acid-4-sulfate	OC(=O)CC1=CC(O)=C(OS(O)(=O)=O)C=C1	247.999073772	C₈H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Caffeic acid sulfate				(Poly)phenol metabolites	Phenolic acid 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
7-methyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2	182.043990069	C₆H₆N₄O₃	N-containing compound metabolites	Alkaloid metabolites	Show
3-Methyluric acid	CN1C2=C(NC(=O)N2)C(=O)NC1=O	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
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
N1-methyl-nicotinamide	C[N+]1=CC=CC(=C1)C(N)=O	137.070939338	C₇H₉N₂O	N-containing compound metabolites	Miscellaneous N-containing compound metabolites	Show
N-Methylnicotinamide	CNC(=O)C1=CC=CN=C1	136.063662886	C₇H₈N₂O	N-containing compound metabolites	Miscellaneous N-containing compound metabolites	Show
N-Methyl-4-pyridone-5-carboxamide	CN1C=CC(=O)C(=C1)C(N)=O	152.058577506	C₇H₈N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Show
N-methyl-2-pyridone-5-carboxamide	CN1C=C(C=CC1=O)C(N)=O	152.058577506	C₇H₈N₂O₂	N-containing compound metabolites	Alkaloid metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid-3'-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C(O)=O)=CC=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	Show
Coumaric acid sulfoglucuronide (p-)		420.3492191	C₁₅H₁₆O₁₂S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid-4'-sulfate	OC(=O)\C=C\C1=CC=C(OS(O)(=O)=O)C=C1	244.004159152	C₉H₈O₆S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid-4'-O-glucuronide	O[C@H]1[C@H](OC2=CC=C(\C=C\C(O)=O)C=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	(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
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079562	C₉H₁₀O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
p-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(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
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3'-O-glucuronide	O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@H]([C@@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-4'-O-glucuronide	O[C@@H]1[C@@H](O)C(OC2=C(O)C=C(CCC(O)=O)C=C2)O[C@@H]([C@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-4'-sulfate	OC(=O)CCC1=CC(O)=C(OS(O)(=O)=O)C=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
p-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O	370.08999678	C₁₆H₁₈O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079562	C₉H₁₀O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid glucuronide				(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372523	C₁₂H₁₃NO₅	(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
Vanilloyl-glycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722458	C₁₀H₁₁NO₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
veratric acid	COC1=C(OC)C=C(C=C1)C(O)=O	182.057908802	C₉H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Sinapic acid-O-sulfate	COC1=CC(\C=C\C(=O)OS(O)(=O)=O)=CC(OC)=C1O	304.02528852	C₁₁H₁₂O₈S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1	372.105646844	C₁₆H₂₀O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1	276.0303739	C₁₀H₁₂O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-3-sulfate	OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Feruloylquinic acid glucuronide			C₂₃H₂₈O₁₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Kahweol	C[C@@]12C=CC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3	314.188194697	C₂₀H₂₆O₃	Terpenoids	Diterpenoids	Show
Kahweol glucuronide		490.5518874	C₂₆H₃₄O₉	Terpenoid metabolites	Diterpenoid metabolites	Show
Kahweol sulfate		394.4883325	C₂₀H₂₆O₆S	Terpenoid metabolites	Diterpenoid metabolites	Show
6-Sulfatoxymelatonin	[H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O	328.072907417	C₁₃H₁₆N₂O₆S	Miscellaneous phytochemical metabolites	Miscellaneous phytochemical metabolites	Show
5-hydroxypyrazine-2-carboxylic acid	OC(=O)C1=CNC(=O)C=N1	140.022191997	C₅H₄N₂O₃	N-containing compounds	N-containing compound metabolites	Show
N-Methyl-4-pyridone-5-carboxamide	CN1C=CC(=O)C(=C1)C(N)=O	152.058577506	C₇H₈N₂O₂	N-containing compounds	Miscellaneous N-containing compounds	Show
N-Methylnicotinamide	CNC(=O)C1=CC=CN=C1	136.063662886	C₇H₈N₂O	N-containing compound metabolites	Miscellaneous N-containing compound metabolites	Show
N-Methylpyridinium	C[N+]1=CC=CC=C1	94.065125682	C₆H₈N	N-containing compounds	Miscellaneous N-containing compounds	Show
N-Methylnicotinamide	CNC(=O)C1=CC=CN=C1	136.063662886	C₇H₈N₂O	N-containing compound metabolites	Miscellaneous N-containing compound metabolites	Show
Nicotinamide	NC(=O)C1=CC=CN=C1	122.048012821	C₆H₆N₂O	N-containing compounds	Miscellaneous N-containing compounds	Show
2-pyridone-5-carboxamide				N-containing compound metabolites	Alkaloid metabolites	Show
Nicotinic acid	OC(=O)C1=CC=CN=C1	123.032028405	C₆H₅NO₂	N-containing compounds	Miscellaneous N-containing compounds	Show
Rhapontigenin	O(C1=C(O)C=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1)C	258.089208931	C₁₅H₁₄O₄	Polyphenols	Stilbenes	Show
Isorhapontigenin	COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1	258.089208931	C₁₅H₁₄O₄	Polyphenols	Stilbenes	Show
Piceatannol-diglucuronide		596.1377	C₂₆H₂₈O₁₆	(Poly)phenol metabolites	Stilbene metabolites	Show
Piceatannol-glucuronide		420.1056	C₂₀H₂₀O₁₀	(Poly)phenol metabolites	Stilbene metabolites	Show
O-methyl piceatannol-monoglucuronide		434.1213	C₂₁H₂₂O₁₀	(Poly)phenol metabolites	Stilbene metabolites	Show
O-methyl piceatannol-monosulfate		338.046	C₁₅H₁₄O₇S	(Poly)phenol metabolites	Stilbene metabolites	Show
piceatannol-disulfate		403.9872	C₁₄H₁₂O₁₀S₂	(Poly)phenol metabolites	Stilbene metabolites	Show
piceatannol-sulfate		324.0304	C₁₄H₁₂O₇S	(Poly)phenol metabolites	Stilbene metabolites	Show
Pterostilbene-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1	432.142032353	C₂₂H₂₄O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
Pterostilbene sulfate	[H]\C(=C(\[H])C1=CC(OC)=CC(OC)=C1)C1=CC=C(OS(O)(=O)=O)C=C1	336.066759409	C₁₆H₁₆O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-demethylated pterostilbene	COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1	242.094294311	C₁₅H₁₄O₃	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-demethylated pterostilbene glucuronide	COC1=CC(\C=C\C2=CC=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)=CC(O)=C1	418.126382288	C₂₁H₂₂O₉	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-demethylated pterostilbene sulfate	COC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	322.051109345	C₁₅H₁₄O₆S	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-hydroxylated pterostilbene	COC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(OC)=C1	272.104858995	C₁₆H₁₆O₄	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-hydroxylated pterostilbene glucuronide	COC1=CC(\C=C\C2=CC(O)=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)=CC(OC)=C1	448.136946973	C₂₂H₂₄O₁₀	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-hydroxylated pterostilbene sulfate	COC1=CC(\C=C\C2=CC(O)=C(OS(O)(=O)=O)C=C2)=CC(OC)=C1	352.061674029	C₁₆H₁₆O₇S	(Poly)phenol metabolites	Stilbene metabolites	Show
Mono-hydroxylated pterostilbene glucuronide sulfate		528.0938	C₂₂H₂₄O₁₃S	(Poly)phenol metabolites	Stilbene metabolites	Show
Pinostilbene	COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1	242.094294311	C₁₅H₁₄O₃	(Poly)phenol metabolites	Stilbene metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid 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
Trigonelline	C[N+]1=CC=CC(=C1)C([O-])=O	137.047678469	C₇H₇NO₂	N-containing compounds	Miscellaneous N-containing compounds	Show

Biomarkers of intake

No Biomarkers of intake found

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