input word = C00055241

Metabolite InformationStructural formula
Name 8-O-Acetyl-1-methoxyfalcarindiolone.
Formula C20H28O5
Mw 348.193674
CAS RN 1194042-08-4
C_ID C00055241
InChIKey QJOCGUCDVFDMBS-UKTHLTGXSA-N
InChICode InChI=1S/C20H28O5/c1-4-5-6-7-8-9-13-19(23)20(25-17(2)21)14-11-10-12-18(22)15-16-24-3/h9,13,19-20,23H,4-8,15-16H2,1-3H3/b13-9+
SMILES CCCCCC/C=C/C(O)C(OC(C)=O)C#CC#CC(CCOC)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeDaucus carota Ref.
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OrganismDaucus carota
ReferenceSchmiech, L. et al., J. Agric. Food Chem., 2009, 57, 11030-11040