Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12140002
Common NameEriodictyol (W)
Systematic Name-
Synonyms-
Exact Mass
288.0634 (neutral)    Calculate m/z:
FormulaC15H12O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID440735
KEGG IDC05631
HMDB IDHMDB0005810
InChIKeySBHXYTNGIZCORC-ZDUSSCGKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/
h1-5,13,16-19H,6H2/t13-/m0/s1
SMILESC1(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)CC(=O)C2=C(O)C=1
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
243.44Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.22Molar
Refractivity
71.86