input word = C00019858

Metabolite InformationStructural formula
Name Edulisin IV
Formula C19H20O7
Mw 360.12090299
CAS RN 158446-38-9
C_ID C00019858 ,
InChIKey YPBNKPNGOBYSJH-ZVOYONDMNA-N
InChICode InChI=1S/C19H20O7/c1-5-13(21)24-17-15-12(23-18(17)19(3,4)26-10(2)20)8-6-11-7-9-14(22)25-16(11)15/h6-9,17-18H,5H2,1-4H3/t17-,18-/m0/s1
SMILES c1cc2c(oc(=O)cc2)c2c1O[C@@H]([C@H]2OC(=O)CC)C(C)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica edulis Ref.
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