input word = C00002285

Metabolite InformationStructural formula
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 N1([C@H]2C[C@H]([C@H]([C@@H]1CC2)C(=O)OC)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum cataractarum Ref.
PlantaeErythroxylaceaeErythroxylum coca Ref.
PlantaeErythroxylaceaeErythroxylum novogranatense var. truxillense Ref.
PlantaeFumariaceaeCorydalis yanhusuo Ref.
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