Structure database (LMSD)

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LM IDLMPK12050104
Common NameGlycitein (W)
Systematic Name7,4'-Dihydroxy-6-methoxyisoflavone
Synonyms-
Exact Mass
284.0685 (neutral)    Calculate m/z:
FormulaC16H12O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID5317750
METABOLOMICS IDFLIA2ANS0005
KEGG IDC14536
HMDB IDHMDB0005781
CHEBI ID34778
CAYMAN ID14162
InChIKeyDXYUAIFZCFRPTH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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SMILES
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1OC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
238.41Topological Polar
Surface Area
79.90Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP3.78Molar
Refractivity
77.91