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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 19838
        role 19810
          chemical role 19439
            antioxidant 16157
              (-)-epigallocatechin 3-gallate 2271
                theasinensin A 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19838
        subatomic particle 19836
          composite particle 19836
            hadron 19836
              baryon 19836
                nucleon 19836
                  atomic nucleus 19836
                    atom 19836
                      main group element atom 19782
                        p-block element atom 19782
                          carbon group element atom 19722
                            carbon atom 19719
                              organic molecular entity 19719
                                heteroorganic entity 19474
                                  organochalcogen compound 19262
                                    organooxygen compound 19153
                                      carbon oxoacid 18647
                                        carboxylic acid 18620
                                          aromatic carboxylic acid 12679
                                            benzoic acids 12656
                                              benzoic acid 5501
                                                hydroxybenzoic acid 4977
                                                  trihydroxybenzoic acid 2740
                                                    gallic acid 2723
                                                      gallate ester 2290
                                                        (-)-epigallocatechin 3-gallate 2271
                                                          theasinensin A 0
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