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ONTOLOGY REPORT - ANNOTATIONS


Term:diclofenac beta-D-glucosiduronic acid
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Accession:CHEBI:59609 term browser browse the term
Definition:A beta-D-glucosiduronic acid (beta-D-glucuronide) that is a metabolite of diclofenac.
Synonyms:exact_synonym: 1-O-({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)-beta-D-glucopyranuronic acid
 related_synonym: Formula=C20H19Cl2NO8;   InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1;   InChIKey=JXIKYYSIYCILNG-HBWRTXEVSA-N;   SMILES=O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O)OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl;   diclofenac O-glucuronide;   diclofenac acyl glucuronide;   diclofenac glucuronide
 xref: Beilstein:8521474 "Beilstein";   PMID:14570764 "Europe PMC";   PMID:15139759 "Europe PMC";   PMID:17123753 "Europe PMC";   PMID:26869668 "Europe PMC";   PMID:9834275 "Europe PMC";   Reaxys:8521474 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      biological role 19693
        xenobiotic 18344
          diclofenac 995
            diclofenac beta-D-glucosiduronic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            heteroorganic entity 19080
                              organochalcogen compound 18795
                                organooxygen compound 18707
                                  carbohydrates and carbohydrate derivatives 12113
                                    carbohydrate 12113
                                      carbohydrate derivative 11736
                                        glycosyl compound 10792
                                          glycoside 9140
                                            glycosiduronic acid 129
                                              glucosiduronic acid 129
                                                beta-D-glucosiduronic acid 40
                                                  diclofenac beta-D-glucosiduronic acid 0
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