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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 26827
        role 26655
          chemical role 24473
            antioxidant 17710
              (-)-epigallocatechin 3-gallate 2384
                theasinensin A 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 26827
        subatomic particle 26803
          composite particle 26803
            hadron 26803
              baryon 26803
                nucleon 26803
                  atomic nucleus 26803
                    atom 26803
                      main group element atom 26554
                        p-block element atom 26554
                          carbon group element atom 26035
                            carbon atom 25998
                              organic molecular entity 25998
                                heteroorganic entity 25379
                                  organochalcogen compound 24991
                                    organooxygen compound 24621
                                      carbon oxoacid 22985
                                        carboxylic acid 22972
                                          aromatic carboxylic acid 14751
                                            benzoic acids 14731
                                              benzoic acid 6023
                                                hydroxybenzoic acid 5436
                                                  trihydroxybenzoic acid 2889
                                                    gallic acid 2872
                                                      gallate ester 2404
                                                        (-)-epigallocatechin 3-gallate 2384
                                                          theasinensin A 0
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