input word = C00017415

Metabolite InformationStructural formula
Name 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid
Formula C21H30O4
Mw 346.21440945
CAS RN 59742-00-6
C_ID C00017415 ,
InChIKey HVFSYEGBXBJANJ-UHFFFAOYNA-N
InChICode InChI=1S/C21H30O4/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/h11-12,14-15,20H,6-10H2,1-5H3/t12-,14+,15+,20+,21-/m1/s1
SMILES C1C[C@@H]([C@@]2([C@@H](C1)C(=O)c1c([C@@H]2OC(=O)C[C@@H](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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OrganismSenecio praecox
ReferenceBohlmann,Chem.Ber.,105,(1972),3523

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

Bohlmann,109,(1976),819