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        <rdfs:label xml:lang="en">has role</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_134179 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_134179">
        <rdfs:label>volatile organic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_18310 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_18310">
        <rdfs:label>alkane</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_48355 -->

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        <rdfs:label>non-polar solvent</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_61015 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_61015">
        <rdfs:label>nephrotoxin</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_62803 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_62803">
        <rdfs:label>fuel additive</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_62805 -->

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        <rdfs:label>isooctane</rdfs:label>
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        <oboInOwl:hasRelatedSynonym>(CH3)2CHCH2C(CH3)3</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>114.14085</ns5:monoisotopicmass>
        <ns5:formula>C8H18</ns5:formula>
        <ns5:smiles>CC(C)CC(C)(C)C</ns5:smiles>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>Wikipedia:Isooctane</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>PMID:23234386</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>2,2,4-trimethylpentane</oboInOwl:hasExactSynonym>
        <ns5:inchikey>NHTMVDHEPJAVLT-UHFFFAOYSA-N</ns5:inchikey>
        <ns5:mass>114.22850</ns5:mass>
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        <oboInOwl:hasDbXref>CAS:540-84-1</oboInOwl:hasDbXref>
        <ns5:inchi>InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3</ns5:inchi>
        <oboInOwl:hasRelatedSynonym>Isobutyltrimethylmethane</oboInOwl:hasRelatedSynonym>
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        <oboInOwl:hasDbXref>Reaxys:1696876</oboInOwl:hasDbXref>
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