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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:etaconazole
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Accession:CHEBI:4874 term browser browse the term
Definition:A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and other crops.
Synonyms:related_synonym: 1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole;   CGA 64251;   Formula=C14H15Cl2N3O2;   InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3;   InChIKey=DWRKFAJEBUWTQM-UHFFFAOYSA-N;   SMILES=CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
 xref: CAS:60207-93-4;   KEGG:C11293;   PPDB:1196;   Patent:NZ587951;   Reaxys:834090


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Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      application 19713
        pesticide 18090
          antifungal agrochemical 12057
            etaconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19724
                              organic cyclic compound 19514
                                organic heterocyclic compound 18893
                                  heteroarene 17176
                                    monocyclic heteroarene 15001
                                      azole 14525
                                        triazoles 8445
                                          triazole antifungal agent 5762
                                            triazole fungicide 5727
                                              etaconazole 0
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