Structure database (LMSD)

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LM IDLMPK12020003
Common NameEpicatechin (W)
Systematic Name-
Synonyms-
Exact Mass
290.0790 (neutral)    Calculate m/z:
FormulaC15H14O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavans, Flavanols and Leucoanthocyanidins [PK1202]
PubChem CID72276
KEGG IDC09727
HMDB IDHMDB0001871
CAYMAN ID11807
InChIKeyPFTAWBLQPZVEMU-UKRRQHHQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h
1-5,13,15-20H,6H2/t13-,15-/m1/s1
SMILESC1(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)CC2=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
246.08Topological Polar
Surface Area
112.45Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP1.83Molar
Refractivity
73.14