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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 19757
        role 19730
          chemical role 19370
            antioxidant 15686
              (-)-epigallocatechin 3-gallate 2233
                theasinensin A 0
    Path 2
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      CHEBI ontology 19757
        subatomic particle 19755
          composite particle 19755
            hadron 19755
              baryon 19755
                nucleon 19755
                  atomic nucleus 19755
                    atom 19755
                      main group element atom 19703
                        p-block element atom 19703
                          carbon group element atom 19649
                            carbon atom 19645
                              organic molecular entity 19645
                                organic group 18859
                                  organic divalent group 18845
                                    organodiyl group 18845
                                      carbonyl group 18809
                                        carbonyl compound 18809
                                          carboxylic acid 18530
                                            aromatic carboxylic acid 11801
                                              benzoic acids 11775
                                                benzoic acid 4343
                                                  hydroxybenzoic acid 3752
                                                    trihydroxybenzoic acid 2684
                                                      gallic acid 2669
                                                        gallate ester 2245
                                                          (-)-epigallocatechin 3-gallate 2233
                                                            theasinensin A 0
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