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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 20072
        role 20024
          chemical role 19563
            antioxidant 15693
              (-)-epigallocatechin 2232
                (+)-catechin-(4alpha->8)-(-)-epigallocatechin 0
                (-)-epicatechin-(4beta->8)-(-)-epigallocatechin 0
                (-)-epigallocatechin 3-gallate + 2232
                (-)-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 20072
        subatomic particle 20071
          composite particle 20071
            hadron 20071
              baryon 20071
                nucleon 20071
                  atomic nucleus 20071
                    atom 20071
                      main group element atom 19971
                        p-block element atom 19971
                          carbon group element atom 19894
                            carbon atom 19887
                              organic molecular entity 19887
                                organic molecule 19835
                                  organic cyclic compound 19589
                                    organic heterocyclic compound 18857
                                      oxacycle 17704
                                        benzopyran 11225
                                          1-benzopyran 10962
                                            flavonoid 6580
                                              flavans 3072
                                                hydroxyflavan 2931
                                                  catechin 2912
                                                    (-)-epigallocatechin 2232
                                                      (+)-catechin-(4alpha->8)-(-)-epigallocatechin 0
                                                      (-)-epicatechin-(4beta->8)-(-)-epigallocatechin 0
                                                      (-)-epigallocatechin 3-gallate + 2232
                                                      (-)-epigallocatechin-(4beta->6)-(+)-catechin 0
                                                      (-)-epigallocatechin-(4beta->8)-(-)-epicatechin 0
                                                      epigallocatechin-(4beta->8,2beta->O-7)-epicatechin 0
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