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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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Term Annotations click to browse term
  CHEBI ontology 19623
    role 19566
      chemical role 19056
        antioxidant 13675
          (-)-epigallocatechin 3-gallate 2017
Path 2
Term Annotations click to browse term
  CHEBI ontology 19623
    subatomic particle 19619
      composite particle 19619
        hadron 19619
          baryon 19619
            nucleon 19619
              atomic nucleus 19619
                atom 19619
                  main group element atom 19497
                    p-block element atom 19497
                      carbon group element atom 19370
                        carbon atom 19362
                          organic molecular entity 19362
                            organic group 18314
                              organic divalent group 18303
                                organodiyl group 18303
                                  carbonyl group 18187
                                    carbonyl compound 18187
                                      carboxylic acid 17854
                                        aromatic carboxylic acid 10058
                                          benzoic acids 10017
                                            benzoic acid 3370
                                              hydroxybenzoic acid 2740
                                                trihydroxybenzoic acid 2139
                                                  gallic acid 2125
                                                    gallate ester 2030
                                                      (-)-epigallocatechin 3-gallate 2017
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