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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:metronidazole benzoate
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Accession:CHEBI:50688 term browser browse the term
Definition:A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole.
Synonyms:exact_synonym: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
 related_synonym: 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate;   Benzoylmetronidazole;   Elyzol;   Flagyl S;   Flegyl;   Formula=C13H13N3O4;   InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3;   InChIKey=CUUCCLJJOWSASK-UHFFFAOYSA-N;   SMILES=Cc1ncc(n1CCOC(=O)c1ccccc1)[N+]([O-])=O;   Vertisal
 xref: Beilstein:621902;   CAS:13182-89-3;   DrugBank:DB00916;   PMID:10529896;   PMID:22393879;   PMID:3759732;   PMID:7028437;   PMID:7104172;   PMID:8188787;   Reaxys:621902



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Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      biological role 19833
        antimicrobial agent 18223
          metronidazole benzoate 0
Path 2
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  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            organic molecule 19695
                              organic cyclic compound 19506
                                organic heterocyclic compound 18878
                                  heteroarene 17154
                                    monocyclic heteroarene 14923
                                      azole 14437
                                        diazole 10534
                                          imidazoles 9948
                                            metronidazole 136
                                              metronidazole benzoate 0
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