input word = C00020487

Metabolite InformationStructural formula
Name [3aS-(3aalpha,4alpha,5alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid
Formula C21H24O6
Mw 372.1572885
CAS RN 72635-04-2
C_ID C00020487 ,
InChIKey HUMCSDURJLRDAG-DLOHBLOYNA-N
InChICode InChI=1S/C21H24O6/c1-9(2)20(23)27-19-16-12(5)21(24)26-18(16)15-10(3)7-8-14(15)11(4)17(19)25-13(6)22/h7-9,15-19H,3,5H2,1-2,4,6H3/t15-,16+,17-,18+,19+/m0/s1
SMILES C=C1C=CC2=C(C)[C@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAthanasia montana Ref.
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