Structure database (LMSD)

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LM IDLMPK12130041
Common NameAureusidin (W)
Systematic Name-
Synonyms-
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID193757
METABOLOMICS IDFL1AACNS0001
InChIKeyWBEFUVAYFSOUEA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H
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SMILES
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O)C=C2O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
240.80Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.13Molar
Refractivity
72.48