input word = C00017311

Metabolite InformationStructural formula
Name [4S-[4alpha(E),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
Formula C20H26O5
Mw 346.17802394
CAS RN 53820-42-1
C_ID C00017311 ,
InChIKey KGZOYCGNWWQQRH-FSXUXXPRNA-N
InChICode InChI=1S/C20H26O5/c1-6-11(2)18(22)25-17-14-12(3)10-24-16(14)15(21)13-8-7-9-19(4,23)20(13,17)5/h6,10,13,17,23H,7-9H2,1-5H3/b11-6+/t13-,17-,19-,20-/m1/s1
SMILES C1C[C@@]([C@@]2([C@H](C1)C(=O)c1c([C@H]2OC(=O)/C(=C/C)/C)c(co1)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEuryops virgineus Ref.
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OrganismEuryops virgineus
ReferenceBohlmann,Chem.Ber.,107,(1974),2730