Structure database (LMSD)

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LM IDLMPK12020004
Common NameEpigallocatechin (W)
Systematic Name-
Synonyms-
Exact Mass
306.0740 (neutral)    Calculate m/z:
FormulaC15H14O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavans, Flavanols and Leucoanthocyanidins [PK1202]
PubChem CID72277
KEGG IDC12136
HMDB IDHMDB0038361
CHEBI ID42255
CAYMAN ID11809
InChIKeyXMOCLSLCDHWDHP-IUODEOHRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
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SMILES
C1(O)C=C2O[C@H](C3=CC(O)=C(O)C(O)=C3)[C@H](O)CC2=C(O)C=1
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MS SpectraView MoNA MS spectra     
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
 logP1.54Molar
Refractivity
74.80