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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:1-\{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl\}-1H-1,2,4-triazole
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Accession:CHEBI:83758 term browser browse the term
Definition:An epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups.
Synonyms:related_synonym: Formula=C17H13ClFN3O;   InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2;   InChIKey=ZMYFCFLJBGAQRS-UHFFFAOYSA-N;   SMILES=Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19880
        chemical entity 19878
          molecular entity 19878
            main group molecular entity 19817
              gas molecular entity 18472
                oxirane 11285
                  epoxide 11284
                    1-\{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl\}-1H-1,2,4-triazole 3651
                      (2R,3S)-epoxiconazole + 3651
                      (2S,3R)-epoxiconazole + 3651
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19880
        subatomic particle 19878
          composite particle 19878
            hadron 19878
              baryon 19878
                nucleon 19878
                  atomic nucleus 19878
                    atom 19878
                      main group element atom 19817
                        p-block element atom 19817
                          carbon group element atom 19757
                            carbon atom 19754
                              organic molecular entity 19754
                                organic molecule 19706
                                  organic cyclic compound 19495
                                    organic heterocyclic compound 18874
                                      organic heteromonocyclic compound 17795
                                        saturated organic heteromonocyclic parent 11304
                                          oxirane 11285
                                            epoxide 11284
                                              1-\{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl\}-1H-1,2,4-triazole 3651
                                                (2R,3S)-epoxiconazole + 3651
                                                (2S,3R)-epoxiconazole + 3651
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