Structure database (LMSD)

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LM IDLMPK12050017
Common NameDaidzein 7,4'-di-O-glucoside
Systematic Name-
Synonyms-
Exact Mass
578.1636 (neutral)    Calculate m/z:
FormulaC27H30O14
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassIsoflavonoids [PK1205]
PubChem CID44257218
METABOLOMICS IDFLIA1AGS0005
InChIKeyVWEWSCDQMVNOJP-FQJIVWDNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2/t17?,18?,20-,21+,22?,23-,24?,25?,26-,27+/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms41Rings5Aromatic Rings3Rotatable Bonds7
 van der Waals
Molecular Volume
483.10Topological Polar
Surface Area
233.11Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
14
 logP2.15Molar
Refractivity
142.92