input word = C00052327

Metabolite InformationStructural formula
Name Isohaplopine
Formula C13H11NO4
Mw 245.06880785
CAS RN 5876-28-8
C_ID C00052327
InChIKey GMBAFOWISMOROU-UHFFFAOYSA-N
InChICode InChI=1S/C13H11NO4/c1-14-10-7(3-4-9(15)12(10)17-2)11(16)8-5-6-18-13(8)14/h3-6,15H,1-2H3
SMILES COc1c(O)ccc2c(=O)c3ccoc3n(C)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeTeclea simplicifolia Ref.
--Zanthoxulum arborescens Ref.
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