input word = C00046197

Metabolite InformationStructural formula
Name Nelumol B
Formula C21H30O5
Mw 362.20932407
CAS RN 165053-71-4
C_ID C00046197 ,
InChIKey PIRMSMJKOZAZOF-MZRWPZDNNA-N
InChICode InChI=1S/C21H30O5/c1-15(2)11-18(23)12-16(3)8-10-26-21-19(24-4)13-17(7-6-9-22)14-20(21)25-5/h6-8,13-14,18,22-23H,1,9-12H2,2-5H3/b7-6+,16-8-/t18-/m1/s1
SMILES CC(=C)C[C@@H](O)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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