input word = C00017416

Metabolite InformationStructural formula
Name [4S-[4alpha(E),4aalpha,5alpha,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Formula C21H28O4
Mw 344.19875938
CAS RN 59742-01-7
C_ID C00017416 ,
InChIKey LNFUVCZSCYWOTA-JWPVBAHGNA-N
InChICode InChI=1S/C21H28O4/c1-6-12(2)10-16(22)25-20-17-13(3)11-24-19(17)18(23)15-9-7-8-14(4)21(15,20)5/h10-11,14-15,20H,6-9H2,1-5H3/b12-10+/t14-,15-,20+,21+/m0/s1
SMILES C1C[C@@H]([C@@]2([C@@H](C1)C(=O)c1c([C@H]2OC(=O)/C=C(/CC)\C)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio praecox Ref.
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