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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:diclofenac
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Accession:CHEBI:47381 term browser browse the term
Definition:A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.
Synonyms:exact_synonym: {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
 related_synonym: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID;   Formula=C14H11Cl2NO2;   InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19);   InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N;   SMILES=C1(Cl)=CC=CC(=C1NC2=CC=CC=C2CC(=O)O)Cl;   [2-(2,6-dichloroanilino)phenyl]acetic acid;   diclofenac acid;   diclofenaco;   diclofenacum;   diclofenamic acid
 alt_id: CHEBI:4507;   CHEBI:47380
 xref: Beilstein:2146636;   CAS:15307-86-5;   DrugBank:DB00586;   Drug_Central:865;   HMDB:HMDB0014724;   KEGG:C01690;   KEGG:D07816;   LINCS:LSM-2160
 xref_mesh: MESH:D004008
 xref: PDBeChem:DIF;   PMID:11322639;   PMID:1502708;   PMID:23777257;   PMID:27967303;   PMID:7838674;   Patent:NL6604752;   Patent:US3558690;   Reaxys:2146636;   VSDB:1933;   Wikipedia:Diclofenac
 cyclic_relationship: is_conjugate_acid_of CHEBI:48311

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        xenobiotic 0
          diclofenac 0
            3'-hydroxy-4'-methoxydiclofenac 0
            3'-hydroxydiclofenac 0
            4',5-dihydroxydiclofenac 0
            4'-hydroxydiclofenac 0
            4'-hydroxydiclofenac quinone imine 0
            5-hydroxydiclofenac 0
            5-hydroxydiclofenac quinone imine 0
            aceclofenac 0
            diclofenac beta-D-glucosiduronic acid 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
                                              3'-hydroxy-4'-methoxydiclofenac 0
                                              3'-hydroxydiclofenac 0
                                              4',5-dihydroxydiclofenac 0
                                              4'-hydroxydiclofenac 0
                                              4'-hydroxydiclofenac quinone imine 0
                                              5-hydroxydiclofenac 0
                                              5-hydroxydiclofenac quinone imine 0
                                              aceclofenac 0
                                              diclofenac beta-D-glucosiduronic acid 0
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