input word = C00019859

Metabolite InformationStructural formula
Name Edulisin V
Formula C24H28O7
Mw 428.18350325
CAS RN 158446-39-0
C_ID C00019859 ,
InChIKey OQNKRWQPITVLBZ-RIYZIHGNNA-N
InChICode InChI=1S/C24H28O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h8-13,20-21H,7H2,1-6H3/b14-8+/t13-,20+,21-/m1/s1
SMILES c1cc2c(oc(=O)cc2)c2c1O[C@H]([C@H]2OC(=O)[C@@H](CC)C)C(C)(C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica edulis Ref.
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