Structure database (LMSD)

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LM IDLMPK12112983
Common NameQuercetagetin (W)
Systematic Name-
Synonyms-
Exact Mass
318.0376 (neutral)    Calculate m/z:
FormulaC15H10O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281680
METABOLOMICS IDFL5FECNS0002
HMDB IDHMDB0126560
CAYMAN ID18645
InChIKeyZVOLCUVKHLEPEV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12
(10)20/h1-4,16-20,22H
SMILESC1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
247.48Topological Polar
Surface Area
151.59Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP2.59Molar
Refractivity
78.02