Arabica coffee
- Group:
- Coffee and coffee products
Showing entry for Arabica coffee
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[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 | |
| 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 | |
| Cafestol linoleate |  CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC2=C(C=CO2)[C@H]1CC3 | 578.433510348 | C38H58O4 | Terpenoids | Diterpenoids | Publications | Show | |
| Cafestol oleate |  CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC2=C(C=CO2)[C@H]1CC3 | 580.449160412 | C38H60O4 | Terpenoids | Diterpenoids | Publications | Show | |
| Cafestol palmitate |  [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC1=C2C=CO1)[C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)C4 | 568.449160412 | C37H60O4 | Terpenoids | Diterpenoids | Publications | Show | |
| Cafestol stearate |  [H][C@]12CC[C@@]34C[C@@H](CC[C@@]3([H])[C@]1(C)CCC1=C2C=CO1)[C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)C4 | 596.480460541 | C39H64O4 | Terpenoids | Diterpenoids | Publications | Show | |
| Kahweol linoleate |  CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]1(O)C[C@]23CC1CCC2[C@@]1(C)C=CC2=C(C=CO2)C1CC3 | 576.417860283 | C38H56O4 | Terpenoids | Diterpenoids | Publications | Show | |
| Kahweol oleate |  CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]1(O)C[C@]23CC1CCC2[C@@]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[C@]1(O)C[C@]23CC1CCC2[C@@]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[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 | 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 | Terpenoid metabolites | Diterpenoid metabolites | 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 | Terpenoid metabolites | Diterpenoid metabolites | 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 | 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 | ||
| 7-methyluric acid |  CN1C(=O)NC2=C1C(=O)NC(=O)N2 | 182.043990069 | C6H6N4O3 | 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 | ||
| 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 |  CN(C=O)C1=C(N)N(C)C(=O)NC1=O | 198.075290198 | C7H10N4O3 | 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-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-methyluric acid |  CN1C(=O)NC2=C(NC(=O)N2)C1=O | 182.043990069 | C6H6N4O3 | N-containing compound metabolites | Alkaloid metabolites | Show | ||
| Paraxanthine |  CN1C=NC2=C1C(=O)N(C)C(=O)N2 | 180.064725514 | C7H8N4O2 | 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 | ||
| 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 | ||
| 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 compound metabolites | Alkaloid metabolites | 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 | ||
| Kahweol sulfate |  | 394.4883325 | C20H26O6S | Terpenoid metabolites | Diterpenoid metabolites | Show | ||
| Kahweol glucuronide |  | 490.5518874 | C26H34O9 | Terpenoid metabolites | Diterpenoid metabolites | 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 | Show | ||
| 6-Amino-5(N-methylformylamino)-1-methyluracil | CN(C=O)C1=C(N)N(C)C(=O)NC1=O | 198.075290198 | C7H10N4O3 | 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 compounds | Alkaloids | 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 | ||
| 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 |
Biomarkers of intake
No Biomarkers of intake found