input word = C00020865

Metabolite InformationStructural formula
Name [3aS-(3aalpha,4alpha,5alpha,9beta,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-methylbutanoic acid
Formula C22H28O7
Mw 404.18350325
CAS RN 72635-08-6
C_ID C00020865 ,
InChIKey MQXALGXBIRLRKH-VOGMYGBKNA-N
InChICode InChI=1S/C22H28O7/c1-7-10(2)20(24)29-19-15-12(4)21(25)28-18(15)16-14(8-9-22(16,6)26)11(3)17(19)27-13(5)23/h8-10,15-19,26H,4,7H2,1-3,5-6H3/t10-,15+,16+,17+,18+,19-,22-/m1/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@@H](CC)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAthanasia montana Ref.
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