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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:4'-hydroxydiclofenac
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Accession:CHEBI:59613 term browser browse the term
Definition:A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac.
Synonyms:exact_synonym: {2-[(2,6-dichloro-4-hydroxyphenyl)amino]phenyl}acetic acid
 related_synonym: (o-(2,6-Dichloro-4-hydroxyanilino)phenyl)acetic acid;   4'-OH DCF;   4'-hydroxy diclofenac;   Formula=C14H11Cl2NO3;   InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20);   InChIKey=KGVXVPRLBMWZLG-UHFFFAOYSA-N;   SMILES=OC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl
 xref: Beilstein:4198042;   CAS:64118-84-9
 xref_mesh: MESH:C108036
 xref: PMID:10027798;   PMID:10709153;   PMID:10807502;   PMID:12966366;   PMID:14609740;   PMID:15139759;   PMID:15265128;   PMID:15455182;   PMID:17123753;   PMID:18548238;   PMID:2118185;   PMID:9226412;   PMID:9862754;   Reaxys:4198042


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          diclofenac 0
            4'-hydroxydiclofenac 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        acetic acid 0
                                          phenylacetic acid 0
                                            diclofenac 0
                                              4'-hydroxydiclofenac 0
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