input word = C00020794

Metabolite InformationStructural formula
Name [3aR-[3aalpha,4beta(E),6aalpha,9aalpha,9bbeta]]-2,3,3a,4,5,6,6a,7,9a,9b-Decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 4-hydroxy-2-methyl-2-butenoic acid
Formula C20H24O5
Mw 344.16237388
CAS RN 100045-33-8
C_ID C00020794 ,
InChIKey IEGGJIUEFMTJED-AYIPNNSXNA-N
InChICode InChI=1S/C20H24O5/c1-10-5-6-14-12(3)9-15(24-19(22)11(2)7-8-21)17-13(4)20(23)25-18(17)16(10)14/h5,7,14-18,21H,3-4,6,8-9H2,1-2H3/b11-7+/t14-,15+,16-,17+,18+/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H]([C@@H](CC1=C)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O3)C(=CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia mercedensis Ref.
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OrganismStevia mercedensis
ReferenceBohlmann,Justus Liebigs Ann.Chem.,(1986),799