input word = C00012316

Metabolite InformationStructural formula
Name [3aS-[3aR*,4R*(Z),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 2-methyl-2-butenoic acid
Formula C20H26O7
Mw 378.16785319
CAS RN 89355-50-0
C_ID C00012316 ,
InChIKey GFLCSJVZMZMJCB-QZHUGMPONA-N
InChICode InChI=1S/C20H26O7/c1-6-11(3)18(23)27-16-15-12(4)19(24)26-13(15)9-10(2)7-8-14(21)20(5,25)17(16)22/h6,9,13,15-17,22,25H,4,7-8H2,1-3,5H3/b10-9+,11-6+/t13-,15-,16+,17+,20+/m1/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)/C=C(/CCC(=O)[C@]([C@H]([C@H]2OC(=O)/C(=C/C)/C)O)(C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogonia prancii Ref.
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