Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12050218
Common NameGenistein (W)
Systematic Name-
SynonymsPrunetol
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID5280961
METABOLOMICS IDFLIAAANS0001
HMDB IDHMDB0003217
CAYMAN ID10005167
InChIKeyTZBJGXHYKVUXJN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1
-7,16-18H
SMILESC1(O)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
221.11Topological Polar
Surface Area
90.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.48Molar
Refractivity
73.02