| Name |
Cafestol |
| Formula |
C20H28O3 |
| Mw |
316.20384476 |
| CAS RN |
469-83-0 |
| C_ID |
C00003407
, 
|
| InChIKey |
DNJVYWXIDISQRD-LWJAUXMENA-N |
| InChICode |
InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1 |
| SMILES |
C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Coffea arabica  | Ref. |
| Plantae | Rubiaceae | Coffea canephora | Ref. |
| Plantae | Rubiaceae | Coffea spp. | Ref. |
| - | - | Caffea sp. | Ref. |
|
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