input word = C00054540

Metabolite InformationStructural formula
Name Cnidimin
Formula C21H22O7
Mw 386.13655306
CAS RN 15591-75-0
C_ID C00054540
InChIKey FFCDTHIJWHJUQJ-JZWAJAMXSA-N
InChICode InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica edulis Ref.
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