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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_18379 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_18379">
        <rdfs:label>nitrile</rdfs:label>
    </Class>
    


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

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        <rdfs:label>aromatic ether</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_46774 -->

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        <rdfs:label>polyether</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_50996 -->

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        <rdfs:label>tertiary amino compound</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_77733 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_77733">
        <rdfs:label>2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile</rdfs:label>
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        <ns4:smiles>COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC</ns4:smiles>
        <ns4:mass>454.60160</ns4:mass>
        <oboInOwl:hasDbXref>LINCS:LSM-1298</oboInOwl:hasDbXref>
        <ns4:formula>C27H38N2O4</ns4:formula>
        <oboInOwl:hasDbXref>CAS:52-53-9</oboInOwl:hasDbXref>
        <ns4:inchikey>SGTNSNPWRIOYBX-UHFFFAOYSA-N</ns4:inchikey>
        <ns4:monoisotopicmass>454.28316</ns4:monoisotopicmass>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasExactSynonym>2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>KEGG:C07188</oboInOwl:hasDbXref>
        <ns4:inchi>InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3</ns4:inchi>
        <oboInOwl:id>CHEBI:77733</oboInOwl:id>
        <oboInOwl:hasDbXref>KEGG:D02356</oboInOwl:hasDbXref>
        <ns2:IAO_0000115>A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.</ns2:IAO_0000115>
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