Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12110004
Common NameQuercetin (W)
Systematic Name-
Synonyms-
Exact Mass
302.0427 (neutral)    Calculate m/z:
FormulaC15H10O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5280343
KEGG IDC00389
HMDB IDHMDB0005794
CHEBI ID16243
CAYMAN ID10005169
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3
-6/h1-5,16-19,21H
SMILESC1(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
238.69Topological Polar
Surface Area
131.36Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
7
 logP2.89Molar
Refractivity
76.35