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ONTOLOGY REPORT - ANNOTATIONS


Term:(-)-epigallocatechin 3-gallate
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Accession:CHEBI:4806 term browser browse the term
Definition:A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.
Synonyms:related_synonym: (-)-Epigallocatechin-3-o-gallate;   EGCG;   Formula=C22H18O11;   InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1;   InChIKey=WMBWREPUVVBILR-WIYYLYMNSA-N;   SMILES=Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1;   [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
 xref: Beilstein:3658838 "Beilstein";   CAS:989-51-5 "ChemIDplus";   CAS:989-51-5 "KEGG COMPOUND";   HMDB:HMDB0003153;   KEGG:C09731;   KNApSAcK:C00000958;   LINCS:LSM-5661;   LIPID_MAPS_instance:LMPK12030005 "LIPID MAPS"
 xref_mesh: MESH:C045651
 xref: PDBeChem:KDH;   PMID:14633667 "Europe PMC";   PMID:15024383 "Europe PMC";   PMID:15950188 "Europe PMC";   PMID:17157668 "Europe PMC";   PMID:18665171 "Europe PMC";   PMID:18716169 "Europe PMC";   PMID:19113837 "Europe PMC";   PMID:19539611 "Europe PMC";   PMID:19784588 "Europe PMC";   PMID:19928918 "Europe PMC";   PMID:21080642 "Europe PMC";   PMID:21434603 "Europe PMC";   PMID:22300765 "Europe PMC";   Patent:CN102600212;   Patent:CN102763743;   Patent:US2012309821;   Reaxys:67944 "Reaxys";   Wikipedia:Epigallocatechin_gallate


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      chemical role 19211
        antioxidant 14137
          (-)-epigallocatechin 3-gallate 2141
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic acid 17973
                                        aromatic carboxylic acid 10740
                                          benzoic acids 10706
                                            benzoic acid 3484
                                              hydroxybenzoic acid 2857
                                                trihydroxybenzoic acid 2266
                                                  gallic acid 2247
                                                    gallate ester 2151
                                                      (-)-epigallocatechin 3-gallate 2141
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