Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12110003
Common NameKaempferol (W)
Systematic Name-
Synonyms-
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5280863
KEGG IDC05903
HMDB IDHMDB0005801
CHEBI ID28499
CAYMAN ID11852
InChIKeyIYRMWMYZSQPJKC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15
/h1-6,16-18,20H
SMILESC1(O)C=C2OC(C3=CC=C(O)C=C3)=C(O)C(=O)C2=C(O)C=1
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
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