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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:(+)-catechin-3-O-gallate
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Accession:CHEBI:76132 term browser browse the term
Definition:A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin.
Synonyms:exact_synonym: (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
 related_synonym: Formula=C22H18O10;   InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1;   InChIKey=LSHVYAFMTMFKBA-PZJWPPBQSA-N;   SMILES=Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1
 xref: Reaxys:4240294
 cyclic_relationship: is_enantiomer_of CHEBI:76131


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      chemical role 21424
        antioxidant 16412
          (+)-catechin 880
            (+)-catechin-3-O-gallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19606
                                    carboxylic acid 19602
                                      aromatic carboxylic acid 12760
                                        benzoic acids 12738
                                          benzoic acid 5351
                                            hydroxybenzoic acid 4817
                                              trihydroxybenzoic acid 2746
                                                gallic acid 2732
                                                  gallate ester 2299
                                                    (+)-catechin-3-O-gallate 0
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