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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 19880
        role 19850
          chemical role 19479
            antioxidant 16148
              (-)-epigallocatechin 3-gallate 2269
                theasinensin A 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19880
        subatomic particle 19878
          composite particle 19878
            hadron 19878
              baryon 19878
                nucleon 19878
                  atomic nucleus 19878
                    atom 19878
                      main group element atom 19817
                        p-block element atom 19817
                          carbon group element atom 19757
                            carbon atom 19754
                              organic molecular entity 19754
                                heteroorganic entity 19512
                                  organochalcogen compound 19275
                                    organooxygen compound 19191
                                      carbon oxoacid 18658
                                        carboxylic acid 18655
                                          aromatic carboxylic acid 12689
                                            benzoic acids 12666
                                              benzoic acid 5504
                                                hydroxybenzoic acid 4979
                                                  trihydroxybenzoic acid 2750
                                                    gallic acid 2733
                                                      gallate ester 2288
                                                        (-)-epigallocatechin 3-gallate 2269
                                                          theasinensin A 0
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