input word = C00017433

Metabolite InformationStructural formula
Name [1aR-[1aalpha,4beta,4abeta,5beta(E),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-pentenoic acid
Formula C21H26O5
Mw 358.17802394
CAS RN 59742-10-8
C_ID C00017433 ,
InChIKey SDDRXWBBAHXQBA-TZMFCKOTNA-N
InChICode InChI=1S/C21H26O5/c1-6-11(2)9-15(22)25-19-16-12(3)10-24-17(16)18(23)21-14(26-21)8-7-13(4)20(19,21)5/h9-10,13-14,19H,6-8H2,1-5H3/b11-9+/t13-,14+,19+,20-,21-/m0/s1
SMILES CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio praecox Ref.
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