input word = C00012053

Metabolite InformationStructural formula
Name [3aS-[3aalpha,4alpha,5beta(Z),6beta,7alpha,7aalpha]]-6-Ethenyloctahydro-3a,4-dihydroxy-6-methyl-3-methylene-7-(1-methylethenyl)-2-oxo-5-benzofuranyl ester 2-methyl-2-butenoic acid
Formula C20H26O6
Mw 362.17293856
CAS RN 88010-57-5
C_ID C00012053 ,
InChIKey BDQUEDAYJRPGSQ-MTFWWOCDNA-N
InChICode InChI=1S/C20H26O6/c1-8-11(5)17(22)26-16-14(21)20(24)12(6)18(23)25-15(20)13(10(3)4)19(16,7)9-2/h8-9,13-16,21,24H,2-3,6H2,1,4-5,7H3/b11-8-/t13-,14-,15-,16-,19+,20+/m0/s1
SMILES C=C[C@@]1(C)[C@@H](OC(=O)/C(C)=CC)[C@H](O)[C@@]2(O)C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMontanoa atriplicifolia Ref.
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