<?xml version="1.0"?>
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    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_35505 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35505">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">hydrate</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_3566 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_3566">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">cetylpyridinium chloride monohydrate</rdfs:label>
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        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">1-hexadecylpyridinium chloride--water (1/1)</oboInOwl:hasExactSynonym>
        <ns4:monoisotopicmass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">357.280</ns4:monoisotopicmass>
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        <ns4:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C21H38N.H2O.Cl</ns4:formula>
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        <ns4:inchi rdf:datatype="http://www.w3.org/2001/XMLSchema#string">InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1</ns4:inchi>
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        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">KEGG:D01062</oboInOwl:hasDbXref>
        <ns4:inchikey rdf:datatype="http://www.w3.org/2001/XMLSchema#string">NFCRBQADEGXVDL-UHFFFAOYSA-M</ns4:inchikey>
        <ns4:smiles rdf:datatype="http://www.w3.org/2001/XMLSchema#string">O.[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1</ns4:smiles>
        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">cetylpyridinium chloride monohydrate</oboInOwl:hasExactSynonym>
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