Structure database (LMSD)

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LM IDLMPK12110001
Common NameMyricetin (W)
Systematic Name-
Synonyms-
Exact Mass
318.0376 (neutral)    Calculate m/z:
FormulaC15H10O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281672
KEGG IDC10107
HMDB IDHMDB0002755
CAYMAN ID10012600
InChIKeyIKMDFBPHZNJCSN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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SMILES
C1(O)C=C2OC(C3=CC(O)=C(O)C(O)=C3)=C(O)C(=O)C2=C(O)C=1
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
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