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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:(-)-gallocatechin gallate
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Accession:CHEBI:156271 term browser browse the term
Definition:A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea.
Synonyms:exact_synonym: (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
 related_synonym: (-)-gallocatechin-3-O-gallate;   (-)-gallocatechol gallate;   (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate);   (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate;   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-NQIIRXRSSA-N;   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
 alt_id: CHEBI:95002
 xref: CAS:4233-96-9;   LINCS:LSM-6228;   PMID:10929811;   PMID:20410646;   PMID:21212555;   PMID:22350287;   PMID:22619553;   PMID:31215023;   PMID:31376653;   Wikipedia:Gallocatechin_gallate
 cyclic_relationship: is_enantiomer_of CHEBI:156284


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      chemical role 19283
        antioxidant 14226
          gallic acid 2288
            (-)-gallocatechin gallate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        aromatic carboxylic acid 10901
                                          benzoic acids 10870
                                            benzoic acid 3841
                                              hydroxybenzoic acid 3231
                                                trihydroxybenzoic acid 2307
                                                  gallic acid 2288
                                                    gallate ester 2191
                                                      (-)-gallocatechin gallate 0
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