input word = C00012314

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]-2,3,3a,4,5,6,7,8,9,11a-Decahydro-5,6-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid
Formula C20H28O7
Mw 380.18350325
CAS RN 89355-48-6
C_ID C00012314 ,
InChIKey VETWZBJPLQREBF-DASWDQKZNA-N
InChICode InChI=1S/C20H28O7/c1-10(2)8-15(22)27-17-16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(5,25)18(17)23/h9-10,13,16-18,23,25H,4,6-8H2,1-3,5H3/b11-9+/t13-,16?,17-,18-,20+/m0/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(/CCC(=O)[C@@]([C@H]([C@H]2OC(=O)CC(C)C)O)(C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogonia prancii Ref.
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OrganismTrichogonia prancii
ReferenceBohlmann,Justus Liebigs Ann.Chem.,(1984),162