Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12110097
Common NameFlavone (W)
Systematic Name-
Synonyms-
Exact Mass
222.0681 (neutral)    Calculate m/z:
FormulaC15H10O2
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID10680
METABOLOMICS IDFL3F99NS0001
HMDB IDHMDB0003075
InChIKeyVHBFFQKBGNRLFZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
SMILESC1=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C=C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
194.74Topological Polar
Surface Area
30.21Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.36Molar
Refractivity
68.03