input word = C00046200

Metabolite InformationStructural formula
Name Nelumol E
Formula C23H34O6
Mw 406.23553882
CAS RN 445434-07-1
C_ID C00046200 ,
InChIKey GMSWMOZEIVVWPB-MRMHHQDGSA-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/h8-10,13-15,24-25H,7,11-12,16H2,1-6H3/b9-8+,17-10+,19-13-
SMILES CCO/C(=CC(C)=CCOc1c(OC)cc(/C=C/CO)cc1OC)CC(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia nelumbifolia Ref.
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