input word = C00064368

Metabolite InformationStructural formula
Name cis-Cinnamoylcocaine
Formula C19H23NO4
Mw 329.16270823
CAS RN 50763-21-8
C_ID C00064368
InChIKey MQIXMJWNEKUAOZ-ZFYRMRLISA-N
InChICode InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8-/t14-,15+,16-,18+/m0/s1
SMILES COC(=O)C1C(OC(=O)C=Cc2ccccc2)CC2CCC1N2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum coca Ref.
--Erythroxylon coca Ref.
--Erythroxylon novogranatense Ref.
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