Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12111566
Common NameFisetin (W)
Systematic Name3,3',4',7-Tetrahydroxyflavone
Synonyms-
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281614
METABOLOMICS IDFL5F1CNS0001
CAYMAN ID15246
InChIKeyXHEFDIBZLJXQHF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h
1-6,16-18,20H
SMILESC1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C=C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
229.90Topological Polar
Surface Area
111.13Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.18Molar
Refractivity
74.69