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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 23948
    role 23836
      chemical role 22418
        antioxidant 14843
          (-)-epigallocatechin 3-gallate 2291
Path 2
Term Annotations click to browse term
  CHEBI ontology 23948
    subatomic particle 23899
      composite particle 23899
        hadron 23899
          baryon 23899
            nucleon 23899
              atomic nucleus 23899
                atom 23899
                  main group element atom 23720
                    p-block element atom 23720
                      carbon group element atom 23436
                        carbon atom 23392
                          organic molecular entity 23392
                            organic group 22058
                              organic divalent group 22032
                                organodiyl group 22032
                                  carbonyl group 22007
                                    carbonyl compound 22007
                                      carboxylic acid 21059
                                        aromatic carboxylic acid 11575
                                          benzoic acids 11544
                                            benzoic acid 4192
                                              hydroxybenzoic acid 3506
                                                trihydroxybenzoic acid 2421
                                                  gallic acid 2402
                                                    gallate ester 2302
                                                      (-)-epigallocatechin 3-gallate 2291
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