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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',5-dihydroxydiclofenac
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Accession:CHEBI:223401 term browser browse the term
Definition:A monocarboxylic acid that is the 4',5-dihydroxylated metabolite of diclofenac.
Synonyms:exact_synonym: {2-[(2,6-dichloro-4-hydroxyphenyl)amino]-5-hydroxyphenyl}acetic acid
 related_synonym: (2-(2,6-Dichloro-4-hydroxyanilino)-5-hydroxyphenyl)acetic acid;   4',5-dihydroxy DCF;   Formula=C14H11Cl2NO4;   InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21);   InChIKey=DRZFITWJHHNHAD-UHFFFAOYSA-N;   SMILES=OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cc(O)cc1Cl
 xref: CAS:69002-86-4;   PMID:10449188;   PMID:15265128;   PMID:2118185;   Reaxys:4204964



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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          diclofenac 0
            4',5-dihydroxydiclofenac 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',5-dihydroxydiclofenac 0
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