PhytoHub: Showing entry for Roasted coffee

Roasted coffee

Group:: Coffee and coffee products

Identification

Name: Roasted coffee
ID: 346
Food group: Coffee and coffee products

Synonyms

No Synonyms

External Links

No external links

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
dehydrocafestol	CC12CCC3=C(C=CO3)C1CCC13CC(CCC21)C(CO)=C3	298.193280077	C₂₀H₂₆O₂	Terpenoids	Diterpenoids	Publications	Show
Dehydrokahweol	CC12C=CC3=C(C=CO3)C1CCC13CC(CCC21)C(CO)=C3	296.177630013	C₂₀H₂₄O₂	Terpenoids	Diterpenoids	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
Atractyloside	[K+].[K+].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	802.13449066	C₃₀H₄₄K₂O₁₆S₂	Terpenoids	Diterpenoids	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
Sitosterol	[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](CC)C(C)C	414.38616623	C₂₉H₅₀O	Terpenoids	Phytosterols	Publications	Show
Trigonelline	C[N+]1=CC=CC(=C1)C([O-])=O	137.047678469	C₇H₇NO₂	N-containing compounds	Alkaloids	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
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Publications	Show
Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Publications	Show
Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(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-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(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
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	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
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
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
1-methyluricacid	CN1C(=O)NC2=C(NC(=O)N2)C1=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				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
7-methyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2	182.043990069	C₆H₆N₄O₃	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
3-methylxanthine	CN1C2=C(NC=N2)C(=O)NC1=O	166.049075449	C₆H₆N₄O₂	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
Paraxanthine	CN1C=NC2=C1C(=O)N(C)C(=O)N2	180.064725514	C₇H₈N₄O₂	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
3,7 dimethyluric acid	CN1C(=O)NC2=C1C(=O)NC(=O)N2C	196.059640134	C₇H₈N₄O₃	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
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
1,3-dimethyluric acid	CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O	196.059640134	C₇H₈N₄O₃	N-containing compounds	Alkaloids	Show
Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.064725514	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Show
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	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 compound metabolites	Alkaloid metabolites	Show
6-Amino-5(N-methylformylamino)-1-methyluracil				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
3-methylxanthine	CN1C2=C(NC=N2)C(=O)NC1=O	166.049075449	C₆H₆N₄O₂	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
1-methyluricacid	CN1C(=O)NC2=C(NC(=O)N2)C1=O	182.043990069	C₆H₆N₄O₃	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
Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375578	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	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-methylxanthine	CN1C(=O)NC2=C(NC=N2)C1=O	166.049075449	C₆H₆N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
Paraxanthine	CN1C=NC2=C1C(=O)N(C)C(=O)N2	180.064725514	C₇H₈N₄O₂	N-containing compound metabolites	Alkaloid metabolites	Show
1,7-dimethylxanthine				N-containing compound metabolites	Alkaloid metabolites	Show
Trigonelline	C[N+]1=CC=CC(=C1)C([O-])=O	137.047678469	C₇H₇NO₂	N-containing compounds	Alkaloids	Show

Biomarkers of intake

No Biomarkers of intake found

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