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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
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Accession:CHEBI:42255 term browser browse the term
Definition:A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.
Synonyms:related_synonym: (-)-3,3',4',5,5',7-Flavanhexol;   (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;   2,3-cis-epigallocatechin;   Epigallocatechol;   Formula=C15H14O7;   InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1;   InChIKey=XMOCLSLCDHWDHP-IUODEOHRSA-N;   L-Epigallocatechin;   SMILES=O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
 alt_id: CHEBI:31029;   CHEBI:42251
 xref: Beilstein:3655868;   CAS:970-74-1;   HMDB:HMDB0038361;   KEGG:C12136;   KNApSAcK:C00008818;   LINCS:LSM-20967;   LIPID_MAPS_instance:LMPK12020004;   MetaCyc:CPD-10411;   PDBeChem:EGT;   PMID:10775337;   PMID:19653629;   PMID:19937856;   Reaxys:94057
 cyclic_relationship: is_enantiomer_of CHEBI:71227


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19770
        role 19720
          chemical role 19260
            antioxidant 14254
              (-)-epigallocatechin 2184
                (+)-catechin-(4alpha->8)-(-)-epigallocatechin 0
                (-)-epicatechin-(4beta->8)-(-)-epigallocatechin 0
                (-)-epigallocatechin 3-gallate 2184
                (-)-epigallocatechin-(4beta->6)-(+)-catechin 0
                (-)-epigallocatechin-(4beta->8)-(-)-epicatechin 0
                epigallocatechin-(4beta->8,2beta->O-7)-epicatechin 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19770
        subatomic particle 19768
          composite particle 19768
            hadron 19768
              baryon 19768
                nucleon 19768
                  atomic nucleus 19768
                    atom 19768
                      main group element atom 19662
                        p-block element atom 19662
                          carbon group element atom 19580
                            carbon atom 19571
                              organic molecular entity 19571
                                organic molecule 19504
                                  organic cyclic compound 19331
                                    organic heterocyclic compound 18519
                                      oxacycle 17539
                                        benzopyran 10267
                                          1-benzopyran 9989
                                            flavonoid 6509
                                              flavans 3015
                                                hydroxyflavan 2878
                                                  catechin 2863
                                                    (-)-epigallocatechin 2184
                                                      (+)-catechin-(4alpha->8)-(-)-epigallocatechin 0
                                                      (-)-epicatechin-(4beta->8)-(-)-epigallocatechin 0
                                                      (-)-epigallocatechin 3-gallate 2184
                                                      (-)-epigallocatechin-(4beta->6)-(+)-catechin 0
                                                      (-)-epigallocatechin-(4beta->8)-(-)-epicatechin 0
                                                      epigallocatechin-(4beta->8,2beta->O-7)-epicatechin 0
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