Structure database (LMSD)

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LM IDLMPK12120096
Common NameIsoliquiritigenin (W)
Systematic Name-
Synonyms-
Exact Mass
256.0736 (neutral)    Calculate m/z:
FormulaC15H12O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassChalcones and dihydrochalcones [PK1212]
PubChem CID638278
METABOLOMICS IDFL1C1ANS0001
KEGG IDC08650
HMDB IDHMDB0037316
CHEBI ID310312
CAYMAN ID10739
InChIKeyDXDRHHKMWQZJHT-FPYGCLRLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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SMILES
C1(O)=CC=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(O)=C1
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings2Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
235.58Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP2.70Molar
Refractivity
71.24