input word = C00046199

Metabolite InformationStructural formula
Name Nelumol D
Formula C23H34O6
Mw 406.23553882
CAS RN 165053-75-8
C_ID C00046199 ,
InChIKey WEYUEBJEXMHHGK-YYEVDLCLSA-N
InChICode InChI=1S/C23H34O6/c1-7-28-19(16-23(3,4)25)13-17(2)10-12-29-22-20(26-5)14-18(9-8-11-24)15-21(22)27-6/h8-10,14-16,24-25H,7,11-13H2,1-6H3/b9-8-,17-10-,19-16-
SMILES CC(O)(C)/C=C(\OCC)/C/C(=C\COc1c(cc(cc1OC)/C=C\CO)OC)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia nelumbifolia Ref.
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