Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12050038
Common NameDaidzein (W)
Systematic Name-
Synonyms-
Exact Mass
254.0579 (neutral)    Calculate m/z:
FormulaC15H10O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID5281708
METABOLOMICS IDFLIA1ANS0002
HMDB IDHMDB0003312
CAYMAN ID10005166
InChIKeyZQSIJRDFPHDXIC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
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
SMILESC1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
212.32Topological Polar
Surface Area
70.67Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.77Molar
Refractivity
71.36