input word = C00012173

Metabolite InformationStructural formula
Name Ainslioside
Formula C21H28O9
Mw 424.17333249
CAS RN 84294-92-8
C_ID C00012173 ,
InChIKey FMUGLSYMLSBAHS-VKFNYNJHNA-N
InChICode InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h6,8,13-18,21-25H,2-5,7,9H2,1H3/b10-8-,12-6-/t13-,14-,15+,16+,17-,18+,21-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)CCC/C(C(=O)O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)=C/C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAinsliaea acerifolia Ref.
zoom in



OrganismAinsliaea acerifolia
ReferenceJin,Yakugaku Zasshi,102,(1982),911