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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;   CAS:989-51-5;   HMDB:HMDB0003153;   KEGG:C09731;   KNApSAcK:C00000958;   LINCS:LSM-5661;   LIPID_MAPS_instance:LMPK12030005
 xref_mesh: MESH:C045651
 xref: PDBeChem:KDH;   PMID:14633667;   PMID:15024383;   PMID:15950188;   PMID:17157668;   PMID:18665171;   PMID:18716169;   PMID:19113837;   PMID:19539611;   PMID:19784588;   PMID:19928918;   PMID:21080642;   PMID:21434603;   PMID:22300765;   Patent:CN102600212;   Patent:CN102763743;   Patent:US2012309821;   Reaxys:67944;   Wikipedia:Epigallocatechin_gallate


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      chemical role 19251
        antioxidant 14216
          (-)-epigallocatechin 3-gallate 2154
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic group 18451
                              organic divalent group 18445
                                organodiyl group 18445
                                  carbonyl group 18346
                                    carbonyl compound 18346
                                      carboxylic acid 18019
                                        aromatic carboxylic acid 10878
                                          benzoic acids 10848
                                            benzoic acid 3812
                                              hydroxybenzoic acid 3204
                                                trihydroxybenzoic acid 2282
                                                  gallic acid 2263
                                                    gallate ester 2164
                                                      (-)-epigallocatechin 3-gallate 2154
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