input word = C00042405

Metabolite InformationStructural formula
Name Columbianetin propionate
(+)-Columbianetin propionate
Formula C17H18O5
Mw 302.11542369
CAS RN 214749-70-9
C_ID C00042405 ,
InChIKey ZHPCIDFYPMOPEF-UGPWUYPHNA-N
InChICode InChI=1S/C17H18O5/c1-4-14(18)22-17(2,3)13-9-11-12(20-13)7-5-10-6-8-15(19)21-16(10)11/h5-8,13H,4,9H2,1-3H3/t13-/m0/s1
SMILES c12c(ccc3c1oc(=O)cc3)O[C@@H](C2)C(C)(C)OC(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica pubescens f.biserrta Ref.
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