PhytoHub: Showing entry for Coffee

Coffee

Group:: Coffee and coffee products

Identification

Name: Coffee
Food group: Coffee and coffee products

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@]12C[C@@]3(CC[C@]4([H])[C@@H](C[C@@H](O)C[C@@]4(C)[C@]3([H])CC1)C(O)=O)[C@@H](O)C2=C	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	[H][C@]12C[C@@]3(CC[C@]4([H])[C@@H](C[C@H](C[C@@]4(C)[C@]3([H])CC1)O[C@@H]1O[C@H](CO)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OC(=O)CC(C)C)C(O)=O)[C@@H](O)C2=C	724.208174845	C₃₀H₄₄O₁₆S₂	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	[H]OC([H])([H])C1([H])OC([H])(OC2([H])C([H])([H])C(C([O-])=O)(C([O-])=O)C3([H])C([H])([H])C([H])([H])[C@@]45C([H])([H])[C@]([H])(C(=C([H])[H])[C@@]4([H])O[H])C([H])([H])C([H])([H])C5([H])[C@@]3(C([H])([H])[H])C2([H])[H])C([H])(OC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(OS(=O)(=O)O[H])C1([H])OS(=O)(=O)O[H]	768.198004085	C₃₁H₄₄O₁₈S₂	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	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids	Publications	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
Chlorogenic acid	OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C1O)C(O)=O	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Quinic acid	OC1CC(O)(CC(O)C1O)C(O)=O	192.063388116	C₇H₁₂O₆	Polyphenols	Phenolic acids	Publications	Show
Piceatannol	OC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(O)=C1	244.073558866	C₁₄H₁₂O₄	Polyphenols	Stilbenes	Publications	Show
Pterostilbene	COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(OC)=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	137.047678473	C₇H₇NO₂	N-containing compounds	Alkaloids	Publications	Show
4-Ethylcatechol	CCC1=CC(O)=C(O)C=C1	138.068079564	C₈H₁₀O₂	Polyphenols	Phenolic acids	Publications	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375584	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Publications	Show
4-Caffeoylquinic acid	OC1CC(O)(CC(O)C1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
3-Caffeoylquinic acid	OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C1O)C(O)=O	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	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	368.110732238	C₁₇H₂₀O₉	Polyphenols	Phenolic acids	Publications	Show
4-Feruloylquinic acid	COC1=CC(\C=C\C(=O)OC2C(O)CC(O)(CC2O)C(O)=O)=CC=C1O	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	368.110732238	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	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Catechol	OC1=CC=CC=C1O	110.036779436	C₆H₆O₂	Polyphenols	Polyphenol metabolites	Publications	Show
Melatonin	COC1=CC=C2NC=C(CCNC(C)=O)C2=C1	232.121177766	C₁₃H₁₆N₂O₂	Miscellaneous phytochemicals	Not Available	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3',4'-Dihydroxyphenyl)propionic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Flavonoids	Show
3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	OC(=O)CCC1=CC=C(O)C(OS([O-])(=O)=O)=C1	261.007447384	C₉H₉O₇S	Polyphenols	Polyphenol metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid-4-sulfate	OC(=O)CC1=CC=C(OS(O)(=O)=O)C(O)=C1	247.999073772	C₈H₈O₇S		Not Available	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079564	C₉H₁₀O₂	Polyphenols	Phenolic acids	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079564	C₉H₁₀O₂	Polyphenols	Phenolic acids	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079564	C₉H₁₀O₂	Polyphenols	Phenolic acids	Show
3,4-Dimethoxybenzoic acid	COC1=C(OC)C=C(C=C1)C(O)=O	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
3,4'-dihydroxy-trans-stilbene	OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1	212.083729626	C₁₄H₁₂O₂	Polyphenols	Stilbenes	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
3'-Methoxy-4'-hydroxyphenylacetic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908808	C₉H₁₀O₄		Not Available	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1	232.976147255	C₇H₅O₇S	Polyphenols	Polyphenol metabolites	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
4-Hydroxymandelic acid	OC(C(O)=O)C1=CC=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Polyphenol metabolites	Show
4-Hydroxyphenylpropionic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
5-methoxyresveratrol-3-O-sulphate	COC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(O)C=C2)=C1	322.051109345	C₁₅H₁₄O₆S	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	Show
6-Sulfatoxymelatonin	[H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O	328.072906944	C₁₃H₁₆N₂O₆S	Miscellaneous phytochemicals	Miscellaneous phytochemical metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	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	Terpenoids	Diterpenoids	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	Terpenoids	Diterpenoids	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	Terpenoids	Diterpenoids	Show
Cafestol glucuronide		492.5678392	C₂₆H₃₆O₉	Terpenoids	Diterpenoids	Show
Cafestol sulfate		396.5042844	C₂₀H₂₈O₆S	Terpenoids	Diterpenoids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Caffeic acid 3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(O)C=C1)C(O)=O	259.9990733	C₉H₈O₇S	Polyphenols	Polyphenol metabolites	Show
Caffeic acid sulfoglucuronide		436.3485242	C₁₅H₁₆O₁₃S	Polyphenols	Phenolic acids	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		Not Available	Show
caffeic acid-4-O-sulfate	OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1	259.9990733	C₉H₈O₇S		Not Available	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		Not Available	Show
Catechol	OC1=CC=CC=C1O	110.036779436	C₆H₆O₂	Polyphenols	Polyphenol 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	Polyphenols	Stilbenes	Show
cis-Resveratrol-3-sulfate	OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	Show
cis-Resveratrol-4'-sulfate	OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Coumaric acid glucuronide (m-)		340.2869145	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	Show
Coumaric acid sulfate (p-)		244.2233596	C₉H₈O₆S	Polyphenols	Phenolic acids	Show
Coumaric acid sulfoglucuronide (p-)		420.3492191	C₁₅H₁₆O₁₂S	Polyphenols	Phenolic acids	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	Polyphenols	Phenolic acids	Show
Dihydro-p-coumaric acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Dihydro-p-coumaric acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Dihydro-p-coumaric acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Dihydro-resveratrol	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1	230.094294314	C₁₄H₁₄O₃	Polyphenols	Stilbenes	Show
Dihydro-resveratrol sulfate		310.0511	C₁₄H₁₄O₆S	Polyphenols	Polyphenol 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	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-3,5-diglucuronide	OC1OC(C(O)C(OC2=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(CCC3=CC=C(O)C=C3)=C2)C1O)C(O)=O	582.158470266	C₂₆H₃₀O₁₅	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-disulfate	OC1=CC=C(CCC2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	390.007924379	C₁₄H₁₄O₉S₂	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-glucuronide		406.1264	C₂₀H₂₂O₉	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-sulfoglucuronide		486.083	C₂₀H₂₂O₁₂S	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-trisulfate		469.965	C₁₄H₁₄O₁₂S₃	Polyphenols	Stilbenes	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid-3-sulfate	OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1	262.014723364	C₉H₁₀O₇S	Polyphenols	Polyphenol 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	Polyphenols	Phenolic acids	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	Polyphenols	Phenolic acids	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	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid-4'-sulfate	OC(=O)CCC1=CC(O)=C(OS(O)(=O)=O)C=C1	262.014723836	C₉H₁₀O₇S	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=C(O)C=CC(CCC(O)=O)=C1	196.073558872	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=C(O)C=CC(CCC(O)=O)=C1	196.073558872	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=C(O)C=CC(CCC(O)=O)=C1	196.073558872	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	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	372.10564686	C₁₆H₂₀O₁₀	Polyphenols	Phenolic acids	Show
Dihydroferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1	276.030373428	C₁₀H₁₂O₇S	Polyphenols	Phenolic acids	Show
Dihydroisoferulic acid	COC1=CC=C(CCC(O)=O)C=C1O	196.073558866	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	Show
Dihydroisoferulic acid-3'-O-glucuronide	OC1C(O)C(OC2=C(O)C=CC(CCC(O)=O)=C2)OC(C1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	Polyphenols	Phenolic acids	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	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	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	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-sulfate	[H]\C(=C(\[H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-sulfate	[H]\C(=C(\[H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-sulfate	[H]\C(=C(\[H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372531	C₁₂H₁₃NO₅	Polyphenols	Phenolic acids	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372531	C₁₂H₁₃NO₅	Polyphenols	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hydroxybenzoic acid		138.1230293	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Hydroxyhippuric acid		195.175099	C₉H₉NO₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	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	370.089996796	C₁₆H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Isorhapontigenin	COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1	258.089208931	C₁₅H₁₄O₄	Polyphenols	Stilbenes	Show
Kahweol glucuronide		490.5518874	C₂₆H₃₄O₉	Terpenoids	Diterpenoids	Show
Kahweol sulfate		394.4883325	C₂₀H₂₆O₆S	Terpenoids	Diterpenoids	Show
Lunularine	OC1=CC=C(CCC2=CC=CC(O)=C2)C=C1	214.099379691	C₁₄H₁₄O₂	Polyphenols	Stilbenes	Show
Mono-demethylated pterostilbene	COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1	242.094294311	C₁₅H₁₄O₃	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	Show
Mono-demethylated pterostilbene sulfate	COC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	322.051109345	C₁₅H₁₄O₆S	Polyphenols	Stilbenes	Show
Mono-hydroxylated pterostilbene	COC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(OC)=C1	272.104858995	C₁₆H₁₆O₄	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	Show
Mono-hydroxylated pterostilbene glucuronide sulfate		528.0938	C₂₂H₂₄O₁₃S	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	Show
O-methyl piceatannol-monoglucuronide		434.1213	C₂₁H₂₂O₁₀	Polyphenols	Stilbenes	Show
O-methyl piceatannol-monosulfate		338.046	C₁₅H₁₄O₇S	Polyphenols	Stilbenes	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.0524295	C₈H₈O₂	Polyphenols	Phenolic acids	Show
Piceatannol	OC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(O)=C1	244.073558866	C₁₄H₁₂O₄	Polyphenols	Stilbenes	Show
Piceatannol-diglucuronide		596.1377	C₂₆H₂₈O₁₆	Polyphenols	Stilbenes	Show
piceatannol-disulfate		403.9872	C₁₄H₁₂O₁₀S₂	Polyphenols	Stilbenes	Show
Piceatannol-glucuronide		420.1056	C₂₀H₂₀O₁₀	Polyphenols	Stilbenes	Show
piceatannol-sulfate		324.0304	C₁₄H₁₂O₇S	Polyphenols	Polyphenol metabolites	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	Polyphenols	Stilbenes	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	Polyphenols	Stilbenes	Show
Pinostilbene	COC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1	242.094294311	C₁₅H₁₄O₃	Polyphenols	Stilbenes	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Pterostilbene sulfate	COC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(OC)=C1	336.066759409	C₁₆H₁₆O₆S	Polyphenols	Stilbenes	Show
Pterostilbene-glucuronide	COC1=CC(\C=C\C2=CC=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2)=CC(OC)=C1	432.142032353	C₂₂H₂₄O₉	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
Resveratrol disulfate		387.992	C₁₄H₁₂O₉S₂	Polyphenols	Polyphenol metabolites	Show
resveratrol glucuronide		404.111	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
Resveratrol ribosyl sulfate		440.078	C₁₉H₂₀O₁₀S	Polyphenols	Stilbenes	Show
resveratrol sulfate		308.035	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
resveratrol sulfoglucuronide		484.068	C₂₀H₂₀O₁₂S	Polyphenols	Stilbenes	Show
resveratrol-4′-O-sulfate	OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	Show
Resveratroloside	OCC1OC(O)C(O)C(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Rhapontigenin	[H]\C(=C(\[H])C1=CC(O)=CC(O)=C1)C1=CC(O)=C(OC)C=C1	258.089208931	C₁₅H₁₄O₄	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	404.110732238	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
trans-Resveratrol 3-O-sulfate	OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	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	387.992273362	C₁₄H₁₂O₉S₂	Polyphenols	Stilbenes	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	Polyphenols	Stilbenes	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	387.992273362	C₁₄H₁₂O₉S₂	Polyphenols	Stilbenes	Show
trans-resveratrol-4'-O-β-sulfate	OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Polyphenol metabolites	Show
trans-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	Polyphenols	Stilbenes	Show
trans-resveratrol-5-O-glucuronide	OC1OC(C(O)C(O)C1OC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1)C(O)=O	404.110732224	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Vanilloylglycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722467	C₁₀H₁₁NO₅	Polyphenols	Phenolic acids	Show
Vanilloylglycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722467	C₁₀H₁₁NO₅	Polyphenols	Phenolic acids	Show

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