Structure database (LMSD)

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LM IDLMPK12050016
Common NameDaidzein 4'-O-glucoside
Systematic Name-
Synonyms-
Exact Mass
416.1107 (neutral)    Calculate m/z:
FormulaC21H20O9
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID44257217
METABOLOMICS IDFLIA1AGS0004
InChIKeyFIENOOOOPYEDMI-SATZSMTESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-4-1-10(2-5-12)14-9-28-15-7-11(23)3-6-13(15)17(14)24/h1-7,9,16,18-23,25-27H,8H2/t16?,18-,19?,20?,21-/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
347.71Topological Polar
Surface Area
151.89Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
9
 logP2.96Molar
Refractivity
107.14