<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_83779"?>
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    <!-- 
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_26878 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_26878">
        <rdfs:label>tertiary alcohol</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>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_83779 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_83779">
        <rdfs:label>1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol</rdfs:label>
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        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_83403"/>
        <ns3:IAO_0000115>A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively.</ns3:IAO_0000115>
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        <ns4:monoisotopicmass>307.14514</ns4:monoisotopicmass>
        <ns4:formula>C16H22ClN3O</ns4:formula>
        <ns4:charge>0</ns4:charge>
        <ns4:mass>307.81800</ns4:mass>
        <oboInOwl:hasDbXref>PPDB:610</oboInOwl:hasDbXref>
        <ns4:inchi>InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3</ns4:inchi>
        <ns4:smiles>CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1</ns4:smiles>
        <ns4:inchikey>PXMNMQRDXWABCY-UHFFFAOYSA-N</ns4:inchikey>
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