input word = C00050889

Metabolite InformationStructural formula
Name isocnidilide
Formula C12H18O2
Mw 194.13067982
CAS RN 124815-25-4
C_ID C00050889
InChIKey UPJFTVFLSIQQAV-FOONRALVNA-N
InChICode InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11-/m0/s1
SMILES CCCC[C@@H]1OC(=O)C2=CCCC[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica sinensis Ref.
PlantaeApiaceaeApium graveolens Ref.
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