RefMet Compound Details

MW structure22176 (View MW Metabolite Database details)
RefMet nameDaidzein
SMILESOc1ccc(cc1)C1=COc2cc(O)ccc2C1=O
Sum CompositionDaidzein View other entries in RefMet with this sum composition
Exact mass254.057910 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC15H10O4View other entries in RefMet with this formula
InChIInChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
InChIKeyZQSIJRDFPHDXIC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassIsoflavonoids
Pubchem CID5281708
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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