<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_58217"?>
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     xml:base="http://www.w3.org/2002/07/owl"
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     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
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     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
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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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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


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    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

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        <rdfs:label xml:lang="en">has role</rdfs:label>
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    <!-- 
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    <!-- http://purl.obolibrary.org/obo/CHEBI_17642 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17642">
        <rdfs:label>pentachlorophenol</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_50525 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50525">
        <rdfs:label>phenolate anion</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_58217 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_58217">
        <rdfs:label>pentachlorophenolate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50525"/>
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                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76967"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:monoisotopicmass>262.83973</ns5:monoisotopicmass>
        <ns5:mass>265.32900</ns5:mass>
        <oboInOwl:hasRelatedSynonym>pentachlorophenolate anion</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns5:inchi>InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1</ns5:inchi>
        <ns5:inchikey>IZUPBVBPLAPZRR-UHFFFAOYSA-M</ns5:inchikey>
        <oboInOwl:hasRelatedSynonym>2,3,4,5,6-pentachlorobenzen-1-olate</oboInOwl:hasRelatedSynonym>
        <ns5:charge>-1</ns5:charge>
        <oboInOwl:id>CHEBI:58217</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>pentachlorophenoxide</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl</ns5:smiles>
        <oboInOwl:hasDbXref>Reaxys:3613001</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>A phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3.</ns4:IAO_0000115>
        <ns5:formula>C6Cl5O</ns5:formula>
        <oboInOwl:hasDbXref>PMID:8680829</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>pentachlorophenolate(1-)</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>pentachlorophenolate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>pentachlorophenol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_76967 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_76967">
        <rdfs:label>human xenobiotic metabolite</rdfs:label>
    </Class>
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