input word = C00017382

Metabolite InformationStructural formula
Name 4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methylbutanoic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 55050-45-8
C_ID C00017382 ,
InChIKey MJGCVTXRSBGNOQ-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O4/c1-6-12(2)18(21)24-17-16-13(3)11-23-15(16)10-14-8-7-9-19(4,22)20(14,17)5/h8,11-12,17,22H,6-7,9-10H2,1-5H3/t12-,17+,19-,20+/m0/s1
SMILES C1C[C@]([C@@]2(C(=C1)Cc1c([C@H]2OC(=O)[C@@H](C)CC)c(co1)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio elegans Ref.
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OrganismSenecio elegans
ReferenceBohlmann,Chem.Ber.,107,(1974),2730

Bohlmann,Chem.Ber.,107,(1974),2912