input word = C00012304

Metabolite InformationStructural formula
Name [3aR-[3aR*,4R*(Z),6S*,9S*,10Z,11aR*]]-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-methyl-2-butenoic acid
Formula C20H26O7
Mw 378.16785319
CAS RN 84886-57-7
C_ID C00012304 ,
InChIKey VPFDOKJNNGJDMA-QXNRZCGCNA-N
InChICode InChI=1S/C20H26O7/c1-6-10(2)18(23)27-15-9-20(5,25)16(22)8-13(21)11(3)7-14-17(15)12(4)19(24)26-14/h6-7,13-15,17,21,25H,4,8-9H2,1-3,5H3/b10-6-,11-7+/t13-,14-,15+,17-,20-/m0/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(/[C@H](CC(=O)[C@@](C[C@H]2OC(=O)/C(=C\C)/C)(C)O)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogoniopsis morii Ref.
zoom in