Structure database (LMSD)

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LM IDLMPK12050500
Common Name(+-)-Dalbergioidin
Systematic Name-
Synonyms-
Exact Mass
288.0634 (neutral)    Calculate m/z:
FormulaC15H12O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID181994
METABOLOMICS IDFLIBALNS0002
KEGG IDC10415
HMDB IDHMDB0032707
CHEBI ID65
InChIKeyWNHXBLZBOWXNQO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2
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SMILES
C1(O)=CC2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
243.44Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.15Molar
Refractivity
72.60