input word = C00020867

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4alpha,5beta(Z),9alpha,9aalpha,9bbeta]]-4-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid
Formula C22H26O7
Mw 402.16785319
CAS RN 117274-04-1
C_ID C00020867 ,
InChIKey PIBICCCSPLZQQU-IRHGLFQQNA-N
InChICode InChI=1S/C22H26O7/c1-7-10(2)20(24)28-17-11(3)14-8-9-22(6,26)16(14)18-15(12(4)21(25)29-18)19(17)27-13(5)23/h7-9,15-19,26H,4H2,1-3,5-6H3/b10-7-/t15-,16-,17+,18-,19+,22-/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)OC(=O)/C(=C\C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeliopsis helianthoides Ref.
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