input word = C00012241

Metabolite InformationStructural formula
Name [3aS-[3aR*,4R*(Z),5R*,6R*,9S*,10E,11aS*]]-5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6,9-dihydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 2-methylbutenoic acid
Formula C22H28O9
Mw 436.17333249
CAS RN 89355-52-2
C_ID C00012241 ,
InChIKey BTJHWHPMYLVAAD-WAKDDQPJNA-N
InChICode InChI=1S/C22H28O9/c1-7-10(2)20(26)31-18-17-12(4)21(27)30-15(17)8-11(3)14(24)9-16(25)22(6,28)19(18)29-13(5)23/h7-8,14-15,17-19,24,28H,4,9H2,1-3,5-6H3/b10-7+,11-8+/t14-,15+,17-,18-,19-,22+/m0/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)/C=C(/[C@H](CC(=O)[C@@]([C@H]([C@H]2OC(=O)/C(=C/C)/C)OC(=O)C)(C)O)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogonia salviaefolia Ref.
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