input word = C00020862

Metabolite InformationStructural formula
Name [3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid
Formula C21H26O7
Mw 390.16785319
CAS RN 72635-05-3
C_ID C00020862 ,
InChIKey LIDRUBLEQLQTIW-HCVJTFGSNA-N
InChICode InChI=1S/C21H26O7/c1-9(2)19(23)28-18-14-11(4)20(24)27-17(14)15-13(7-8-21(15,6)25)10(3)16(18)26-12(5)22/h7-9,14-18,25H,4H2,1-3,5-6H3/t14-,15-,16-,17-,18+,21-/m0/s1
SMILES C12=C([C@@H]([C@@H]([C@@H]3[C@@H]([C@H]1[C@@](C=C2)(C)O)OC(=O)C3=C)OC(=O)C(C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAthanasia montana Ref.
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