Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12140001
Common NameNaringenin (W)
Systematic Name-
Synonyms-
Exact Mass
272.0685 (neutral)    Calculate m/z:
FormulaC15H12O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID439246
KEGG IDC00509
HMDB IDHMDB0002670
CHEBI ID17846
InChIKeyFTVWIRXFELQLPI-ZDUSSCGKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1
-6,13,16-18H,7H2/t13-/m0/s1
SMILESC1(O)C=C2O[C@H](C3=CC=C(O)C=C3)CC(=O)C2=C(O)C=1
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
234.65Topological Polar
Surface Area
89.06Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP2.51Molar
Refractivity
70.19