PhytoHub: Showing entry for Roasted coffee

Roasted coffee

Group:: Coffee and coffee products

Identification

Name: Roasted coffee
Food group: Coffee and coffee products

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	[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
	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	137.047678473	C₇H₇NO₂	N-containing compounds	Alkaloids	Publications	Show
	5-O-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
	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	194.080375584	C₈H₁₀N₄O₂	N-containing compounds	Alkaloids	Publications	Show
	Theobromine	CN1C=NC2=C1C(=O)NC(=O)N2C	180.06472552	C₇H₈N₄O₂	N-containing compounds	Alkaloids	Publications	Show
	Theophylline	CN1C2=C(NC=N2)C(=O)N(C)C1=O	180.06472552	C₇H₈N₄O₂	N-containing compounds	Alkaloids	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-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids		Show
	3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol 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	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids		Show
	Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids		Show
	Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids		Show
	Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids		Show
	Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites		Show
	Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids		Show