input word = C00017321

Metabolite InformationStructural formula
Name [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid
Formula C20H26O4
Mw 330.18310932
CAS RN 55050-50-5
C_ID C00017321 ,
InChIKey KIMUQYZGWWHUDI-OAHMFAEENA-N
InChICode InChI=1S/C20H26O4/c1-11(2)8-16(21)23-18-17-12(3)10-22-14(17)9-20-15(24-20)7-6-13(4)19(18,20)5/h8,10,13,15,18H,6-7,9H2,1-5H3/t13-,15+,18+,19-,20+/m0/s1
SMILES CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio rigidus Ref.
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