Structure database (LMSD)

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LM IDLMPK12050328
Common Name2'-Hydroxybiochanin A
Systematic Name-
Synonyms-
Exact Mass
300.0634 (neutral)    Calculate m/z:
FormulaC16H12O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID5282075
METABOLOMICS IDFLIAALNS0003
KEGG IDC12135
HMDB IDHMDB0134009
CHEBI ID31064
InChIKeyOZEVXMDBOINMTC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H12O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-7,17-19H,1H3
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SMILES
C1(O)=CC2OC=C(C3C=CC(OC)=CC=3O)C(=O)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
247.20Topological Polar
Surface Area
100.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.49Molar
Refractivity
79.57