<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_84002"?>
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     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#3"
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     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:ns4="http://purl.obolibrary.org/obo/chebi/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
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     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


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    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
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    <!-- http://purl.obolibrary.org/obo/CHEBI_141498 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_141498">
        <rdfs:label>hemiaminal ether</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_17087 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17087">
        <rdfs:label>ketone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35618 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35618">
        <rdfs:label>aromatic ether</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35727 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35727">
        <rdfs:label>triazoles</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_83403 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_83403">
        <rdfs:label>monochlorobenzenes</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_84002 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_84002">
        <rdfs:label>1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_141498"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17087"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35618"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35727"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_83403"/>
        <ns4:smiles>CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1</ns4:smiles>
        <ns4:inchikey>WURBVZBTWMNKQT-UHFFFAOYSA-N</ns4:inchikey>
        <ns4:inchi>InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3</ns4:inchi>
        <ns4:formula>C14H16ClN3O2</ns4:formula>
        <ns4:charge>0</ns4:charge>
        <ns3:IAO_0000115>A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.</ns3:IAO_0000115>
        <ns4:mass>293.74900</ns4:mass>
        <oboInOwl:id>CHEBI:84002</oboInOwl:id>
        <oboInOwl:hasDbXref>LINCS:LSM-4424</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PPDB:648</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:monoisotopicmass>293.09310</ns4:monoisotopicmass>
        <oboInOwl:hasExactSynonym>1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
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