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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: (-)-epigallocatechol gallate;   3-O-galloyl-(-)-epigallocatechin;   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;   L-epigallocatechin gallate;   NVP-XAA 723;   SMILES=OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(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;   epigallocatechin 3-O-gallate;   epigallocatechin gallate
 xref: Beilstein:3658838;   CAS:989-51-5;   Chemspider:58575;   HMDB:HMDB0003153;   KEGG:C09731;   KNApSAcK:C00000958;   LINCS:LSM-5661;   LIPID_MAPS_instance:LMPK12030005
 xref_mesh: MESH:C045651
 xref: PDBeChem:KDH;   PMID:12053219;   PMID:12918062;   PMID:14521154;   PMID:14633667;   PMID:15024383;   PMID:15950188;   PMID:17157668;   PMID:18665171;   PMID:18716169;   PMID:19085685;   PMID:19113837;   PMID:19539611;   PMID:19542563;   PMID:19784588;   PMID:19928918;   PMID:20565072;   PMID:21080642;   PMID:21434603;   PMID:21750208;   PMID:22300765;   PMID:22876177;   PMID:23834676;   PMID:31503486;   PMID:31767902;   PMID:32635637;   PMID:33268646;   PMID:33604623;   PMID:34553787;   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 19831
        role 19807
          chemical role 19442
            antioxidant 16141
              (-)-epigallocatechin 3-gallate 2270
                theasinensin A 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19831
        subatomic particle 19829
          composite particle 19829
            hadron 19829
              baryon 19829
                nucleon 19829
                  atomic nucleus 19829
                    atom 19829
                      main group element atom 19779
                        p-block element atom 19779
                          carbon group element atom 19728
                            carbon atom 19724
                              organic molecular entity 19724
                                heteroorganic entity 19477
                                  organochalcogen compound 19240
                                    organooxygen compound 19155
                                      carbon oxoacid 18613
                                        carboxylic acid 18610
                                          aromatic carboxylic acid 12594
                                            benzoic acids 12571
                                              benzoic acid 5327
                                                hydroxybenzoic acid 4795
                                                  trihydroxybenzoic acid 2735
                                                    gallic acid 2721
                                                      gallate ester 2289
                                                        (-)-epigallocatechin 3-gallate 2270
                                                          theasinensin A 0
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