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Version 1.4
Robusta coffee
Group:
Coffee and coffee products
Identification
Links
Compounds
Related Metabolites
Showing entry for Robusta coffee
Identification
Name
Robusta coffee
ID
131
Food group
Coffee and coffee products
Synonyms
No Synonyms
External Links
ITIS
506060
FooDB (Foods)
60
Compounds
Name
Structure
Monoisotopic mass
Formula
Family
Class
16-O-Methylcafestol
CO[
[email protected]
]1(CO)C[
[email protected]
]23C[
[email protected]
@H]1CC[
[email protected]
]2[
[email protected]
]1(C)CCC2=C(C=CO2)[
[email protected]
]1CC3
330.219494826
C
21
H
30
O
3
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
C
20
H
26
O
3
Terpenoids
Diterpenoids
Publications
Show
16-O-Methylkahweol
CO[
[email protected]
]1(CO)C[
[email protected]
]23C[
[email protected]
]1CC[
[email protected]
]2[
[email protected]
]1(C)C=CC2=C(C=CO2)[
[email protected]
]1CC3
328.203844762
C
21
H
28
O
3
Terpenoids
Diterpenoids
Publications
Show
Atractyligenin
[H][
[email protected]
]12CC[
[email protected]
@]34C[
[email protected]
@H](CC[
[email protected]
@]3([H])[
[email protected]
]1(C)C[
[email protected]
](O)C[
[email protected]
]2C(O)=O)C(=C)[
[email protected]
@H]4O
320.198759382
C
19
H
28
O
4
Terpenoids
Diterpenoids
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
C
20
H
28
O
3
Terpenoids
Diterpenoids
Publications
Show
3,4-dimethyl-2,5-furandione
CC1=C(C)C(=O)OC1=O
126.031694053
C
6
H
6
O
3
Miscellaneous phytochemical metabolites
Miscellaneous phytochemical metabolites
Publications
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Related Metabolites
Name
Structure
Monoisotopic mass
Formula
Family
Class
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
C
30
H
45
N
3
O
11
S
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
C
20
H
28
O
4
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
C
20
H
28
O
5
Terpenoid metabolites
Diterpenoid metabolites
Show
Cafestol glucuronide
492.5678392
C
26
H
36
O
9
Terpenoid metabolites
Diterpenoid metabolites
Show
Cafestol sulfate
396.5042844
C
20
H
28
O
6
S
Terpenoid metabolites
Diterpenoid metabolites
Show
Kahweol glucuronide
490.5518874
C
26
H
34
O
9
Terpenoid metabolites
Diterpenoid metabolites
Show
Kahweol sulfate
394.4883325
C
20
H
26
O
6
S
Terpenoid metabolites
Diterpenoid metabolites
Show
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