Structure database (LMSD)

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LM IDLMPK12140024
Common NameLiquiritigenin 7-apiofuranoside-4'-glucoside
Systematic Name7,4'-Dihydroxyflavanone 7-apiofuranoside-4'-glucoside
Synonyms-
Exact Mass
550.1686 (neutral)    Calculate m/z:
FormulaC26H30O13
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607803
METABOLOMICS IDFL2F1AGS0004
InChIKeyKEABDZDFSMGRQX-UPVPDIFPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C26H30O13/c27-9-19-20(30)21(31)22(32)24(39-19)36-13-3-1-12(2-4-13)17-8-16(29)15-6-5-14(7-18(15)38-17)37-25-23(33)26(34,10-28)11-35-25/h1-7,17,19-25,27-28,30-34H,8-11H2/t17?,19?,20-,21+,22?,23-,24-,25+,26?/m1/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings5Aromatic Rings2Rotatable Bonds7
 van der Waals
Molecular Volume
470.55Topological Polar
Surface Area
211.04Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
13
 logP1.54Molar
Refractivity
133.57