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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 19900
        role 19875
          chemical role 19497
            antioxidant 16054
              (-)-epigallocatechin 2268
                (+)-catechin-(4alpha->8)-(-)-epigallocatechin 0
                (-)-epicatechin-(4beta->8)-(-)-epigallocatechin 0
                (-)-epigallocatechin 3-gallate + 2268
                (-)-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 19900
        subatomic particle 19898
          composite particle 19898
            hadron 19898
              baryon 19898
                nucleon 19898
                  atomic nucleus 19898
                    atom 19898
                      main group element atom 19845
                        p-block element atom 19845
                          carbon group element atom 19792
                            carbon atom 19787
                              organic molecular entity 19787
                                organic molecule 19744
                                  organic cyclic compound 19549
                                    organic heterocyclic compound 18888
                                      oxacycle 17807
                                        benzopyran 11743
                                          1-benzopyran 11507
                                            flavonoid 6842
                                              flavans 3171
                                                hydroxyflavan 2986
                                                  catechin 2968
                                                    (-)-epigallocatechin 2268
                                                      (+)-catechin-(4alpha->8)-(-)-epigallocatechin 0
                                                      (-)-epicatechin-(4beta->8)-(-)-epigallocatechin 0
                                                      (-)-epigallocatechin 3-gallate + 2268
                                                      (-)-epigallocatechin-(4beta->6)-(+)-catechin 0
                                                      (-)-epigallocatechin-(4beta->8)-(-)-epicatechin 0
                                                      epigallocatechin-(4beta->8,2beta->O-7)-epicatechin 0
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