| Name |
Cocaine |
| Formula |
C17H21NO4 |
| Mw |
303.14705817 |
| CAS RN |
50-36-2 |
| C_ID |
C00002285
, 
|
| InChIKey |
ZPUCINDJVBIVPJ-IZVNHCADNA-N |
| InChICode |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m1/s1 |
| SMILES |
COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Erythroxylaceae | Erythroxylum cataractarum | Ref. |
| Plantae | Erythroxylaceae | Erythroxylum coca  | Ref. |
| Plantae | Erythroxylaceae | Erythroxylum novogranatense var. truxillense | Ref. |
| Plantae | Fumariaceae | Corydalis yanhusuo | Ref. |
| Plantae | Solanaceae | Datura stramonium | Ref. |
| - | - | Erythroxylon coca | Ref. |
| - | - | Erythroxylon novogranatense | Ref. |
|
|
zoom in
| Organism | Erythroxylum novogranatense var. truxillense |
|---|
| Reference | W.J.Griffin et al.,Phytochemistry,53,(2000),623-637 |
|---|
|
