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CHEBI:191609 - Epigallocatechin 3-O-(4-hydroxybenzoate)

ChEBI IDCHEBI:191609
ChEBI NameEpigallocatechin 3-O-(4-hydroxybenzoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O9
Net Charge0
Average Mass426.377
Monoisotopic Mass426.09508
SMILESO=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)cc1
InChIInChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)22(29)31-19-9-14-15(25)7-13(24)8-18(14)30-21(19)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1
InChIKeyKRGDXHCBNLBSJP-TZIWHRDSSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Epigallocatechin 3-O-(4-hydroxybenzoate) (CHEBI:191609) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 4-hydroxybenzoate
Manual XrefsDatabases
23297166ChemSpider
LMPK12020131LIPID MAPS