Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12020203
Common Name-
Systematic NameCatechin-4β-ol
Synonyms-
Exact Mass
306.0740 (neutral)    Calculate m/z:
FormulaC15H14O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavans, Flavanols and Leucoanthocyanidins [PK1202]
PubChem CID440833
METABOLOMICS IDFL6DACNS0002
InChIKeySBZWTSHAFILOTE-SOUVJXGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3
-6/h1-5,13-21H/t13-,14-,15+/m0/s1
SMILESC1(O)=CC2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)[C@@H](O)C=2C(O)=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
254.87Topological Polar
Surface Area
132.68Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
7
 logP1.32Molar
Refractivity
74.39