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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

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 21450
    role 21426
      chemical role 20746
        antioxidant 14393
          (-)-epigallocatechin 3-gallate 2190
Path 2
Term Annotations click to browse term
  CHEBI ontology 21450
    subatomic particle 21434
      composite particle 21434
        hadron 21434
          baryon 21434
            nucleon 21434
              atomic nucleus 21434
                atom 21434
                  main group element atom 21329
                    p-block element atom 21329
                      carbon group element atom 21100
                        carbon atom 20999
                          organic molecular entity 20999
                            organic group 19497
                              organic divalent group 19487
                                organodiyl group 19487
                                  carbonyl group 19464
                                    carbonyl compound 19464
                                      carboxylic acid 19083
                                        aromatic carboxylic acid 11059
                                          benzoic acids 11030
                                            benzoic acid 3881
                                              hydroxybenzoic acid 3258
                                                trihydroxybenzoic acid 2320
                                                  gallic acid 2301
                                                    gallate ester 2202
                                                      (-)-epigallocatechin 3-gallate 2190
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