PhytoHub: Showing entry for Arabica coffee

Arabica coffee

Group:: Coffee and coffee products

Identification

Name: Arabica coffee
ID: 173
Food group: Coffee and coffee products

Synonyms

No Synonyms

External Links

ITIS: 35190

Compounds

	Name	Structure	Monoisotopic mass	Formula	Family	Class
	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
	Cafestol	C[[email protected]@]12CCC3=C(C=CO3)[[email protected]]1CC[[email protected]@]13C[[email protected]](CC[[email protected]@H]21)[[email protected]@](O)(CO)C3	316.203844762	C₂₀H₂₈O₃	Terpenoids	Diterpenoids	Publications	Show
	Kahweol	C[[email protected]@]12C=CC3=C(C=CO3)[[email protected]]1CC[[email protected]@]13C[[email protected]@H](CC[[email protected]@H]21)[[email protected]@](O)(CO)C3	314.188194697	C₂₀H₂₆O₃	Terpenoids	Diterpenoids	Publications	Show
	Cafestol linoleate	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[[email protected]@]1(O)C[[email protected]]23C[[email protected]]1CC[[email protected]]2[[email protected]]1(C)CCC2=C(C=CO2)[[email protected]]1CC3	578.433510348	C₃₈H₅₈O₄	Terpenoids	Diterpenoids	Publications	Show
	Cafestol oleate	CCCCCCCC\C=C/CCCCCCCC(=O)OC[[email protected]@]1(O)C[[email protected]]23C[[email protected]]1CC[[email protected]]2[[email protected]]1(C)CCC2=C(C=CO2)[[email protected]]1CC3	580.449160412	C₃₈H₆₀O₄	Terpenoids	Diterpenoids	Publications	Show
	Cafestol palmitate	[H][[email protected]]12CC[[email protected]@]34C[[email protected]@H](CC[[email protected]@]3([H])[[email protected]]1(C)CCC1=C2C=CO1)[[email protected]@](O)(COC(=O)CCCCCCCCCCCCCCCC)C4	568.449160412	C₃₇H₆₀O₄	Terpenoids	Diterpenoids	Publications	Show
	Cafestol stearate	[H][[email protected]]12CC[[email protected]@]34C[[email protected]@H](CC[[email protected]@]3([H])[[email protected]]1(C)CCC1=C2C=CO1)[[email protected]@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)C4	596.480460541	C₃₉H₆₄O₄	Terpenoids	Diterpenoids	Publications	Show
	Kahweol linoleate	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[[email protected]]1(O)C[[email protected]]23CC1CCC2[[email protected]@]1(C)C=CC2=C(C=CO2)C1CC3	576.417860283	C₃₈H₅₆O₄	Terpenoids	Diterpenoids	Publications	Show
	Kahweol oleate	CCCCCCCC\C=C/CCCCCCCC(=O)OC[[email protected]]1(O)C[[email protected]]23CC1CCC2[[email protected]@]1(C)C=CC2=C(C=CO2)C1CC3	578.433510348	C₃₈H₅₈O₄	Terpenoids	Diterpenoids	Publications	Show
	Kahweol palmitate	CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC2C1(C)C=CC2=C(C=CO2)C1CC3	552.417860283	C₃₆H₅₆O₄	Terpenoids	Diterpenoids	Publications	Show
	Kahweol stearate	CCCCCCCCCCCCCCCCCC(=O)OC[[email protected]]1(O)C[[email protected]]23CC1CCC2[[email protected]@]1(C)C=CC2=C(C=CO2)C1CC3	580.449160412	C₃₈H₆₀O₄	Terpenoids	Diterpenoids	Publications	Show
	Dehydrokahweol	CC12C=CC3=C(C=CO3)C1CCC13CC(CCC21)C(CO)=C3	296.177630013	C₂₀H₂₄O₂	Terpenoids	Diterpenoids	Publications	Show

Related Metabolites

	Name	Structure	Monoisotopic mass	Formula	Family	Class
	Cafestol	C[[email protected]@]12CCC3=C(C=CO3)[[email protected]]1CC[[email protected]@]13C[[email protected]](CC[[email protected]@H]21)[[email protected]@](O)(CO)C3	316.203844762	C₂₀H₂₈O₃	Terpenoids	Diterpenoids		Show
	Cafestol (2-hydroxy-, 3,4-epoxide, glutathione conjugate)	C[[email protected]@]12CC(O)C3=C(C(O)C(O3)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C1CC[[email protected]@]13CC(CCC21)[[email protected]@](O)(CO)C3	655.277480455	C₃₀H₄₅N₃O₁₁S	Terpenoid metabolites	Diterpenoid metabolites		Show
	Cafestol (2-hydroxy-)	C[[email protected]@]12CC(O)C3=C(C=CO3)C1CC[[email protected]@]13C[[email protected]](CCC21)[[email protected]@](O)(CO)C3	332.198759382	C₂₀H₂₈O₄	Terpenoid metabolites	Diterpenoid metabolites		Show
	Cafestol (2-hydroxy-,3,4-epoxide)	C[[email protected]@]12CC(O)C3=C(C4OC4O3)C1CC[[email protected]@]13C[[email protected]@H](CCC21)[[email protected]@](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
	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
	Kahweol	C[[email protected]@]12C=CC3=C(C=CO3)[[email protected]]1CC[[email protected]@]13C[[email protected]@H](CC[[email protected]@H]21)[[email protected]@](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