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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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  • Term paths to the root
    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19771
        role 19716
          chemical role 19256
            antioxidant 14273
              (-)-epigallocatechin 3-gallate 2184
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19771
        subatomic particle 19770
          composite particle 19770
            hadron 19770
              baryon 19770
                nucleon 19770
                  atomic nucleus 19770
                    atom 19770
                      main group element atom 19658
                        p-block element atom 19658
                          carbon group element atom 19574
                            carbon atom 19564
                              organic molecular entity 19564
                                organic group 18599
                                  organic divalent group 18590
                                    organodiyl group 18590
                                      carbonyl group 18505
                                        carbonyl compound 18505
                                          carboxylic acid 18157
                                            aromatic carboxylic acid 11266
                                              benzoic acids 11237
                                                benzoic acid 3865
                                                  hydroxybenzoic acid 3254
                                                    trihydroxybenzoic acid 2313
                                                      gallic acid 2298
                                                        gallate ester 2195
                                                          (-)-epigallocatechin 3-gallate 2184
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