input word = C00002280

Metabolite InformationStructural formula
Name Benzoylecgonine
Formula C16H19NO4
Mw 289.1314081
CAS RN 519-09-5
C_ID C00002280 ,
InChIKey GVGYEFKIHJTNQZ-CBGPLGHENA-N
InChICode InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13+,14+/m0/s1
SMILES N1([C@@H]2C[C@H]([C@@H]([C@H]1CC2)C(=O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum coca Ref.
PlantaeErythroxylaceaeErythroxylum novogranatense Ref.
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