<?xml version="1.0"?>
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000412"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_3565 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_3565">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Cetrimide</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50860"/>
        <ns4:monoisotopicmass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">335.219</ns4:monoisotopicmass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">336.394</ns4:mass>
        <ns4:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C17H38BrN</ns4:formula>
        <ns4:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C17H38N.Br</ns4:formula>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CAS:8044-71-1</oboInOwl:hasDbXref>
        <oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CHEBI:3565</oboInOwl:id>
        <ns4:inchikey rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CXRFDZFCGOPDTD-UHFFFAOYSA-M</ns4:inchikey>
        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Cetrimide</oboInOwl:hasExactSynonym>
        <ns4:inchi rdf:datatype="http://www.w3.org/2001/XMLSchema#string">InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1</ns4:inchi>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">KEGG:C11279</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Myristyltrimethylaminium bromide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Tetradecyl trimethyl ammonium bromide</oboInOwl:hasRelatedSynonym>
        <ns4:smiles rdf:datatype="http://www.w3.org/2001/XMLSchema#string">[N+](C)(C)(CCCCCCCCCCCCCC)C.[Br-]</ns4:smiles>
        <oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">chebi_ontology</oboInOwl:hasOBONamespace>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_50860 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50860">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">organic molecular entity</rdfs:label>
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<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



