Structure database (LMSD)

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LM IDLMPK12140018
Common Name-
Systematic Name7-Hydroxyflavanone
Synonyms-
Exact Mass
240.0786 (neutral)    Calculate m/z:
FormulaC15H12O3
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID1890
METABOLOMICS IDFL2F19NS0001
InChIKeySWAJPHCXKPCPQZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14
,16H,9H2
SMILESC1(O)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
217.07Topological Polar
Surface Area
48.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.10Molar
Refractivity
66.87