<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_81582"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#3"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:ns4="http://purl.obolibrary.org/obo/chebi/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_134094 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_134094">
        <rdfs:label>polybromodiphenyl ether</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_81582 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_81582">
        <rdfs:label>2,4-dibromophenyl 2,4,5-tribromophenyl ether</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_134094"/>
        <oboInOwl:hasDbXref>PMID:25747361</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:25956475</oboInOwl:hasDbXref>
        <ns4:smiles>O(C=1C=C(C(=CC1Br)Br)Br)C=2C=CC(=CC2Br)Br</ns4:smiles>
        <oboInOwl:hasDbXref>PMID:27471519</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:28525869</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CAS:60348-60-9</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:28512710</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>HMDB:HMDB0037516</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>PBDE 99</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:28007175</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2&#39;, and 4&#39; positions have been replaced by bromines.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>2,2&#39;,4,4&#39;,5-pentabromodiphenyl ether</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:25081382</oboInOwl:hasDbXref>
        <ns4:mass>564.686</ns4:mass>
        <ns4:formula>C12H5Br5O</ns4:formula>
        <oboInOwl:hasDbXref>PMID:25908029</oboInOwl:hasDbXref>
        <ns4:inchikey>WHPVYXDFIXRKLN-UHFFFAOYSA-N</ns4:inchikey>
        <oboInOwl:hasDbXref>PMID:28104345</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:26923239</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:7538447</oboInOwl:hasDbXref>
        <ns4:inchi>InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H</ns4:inchi>
        <oboInOwl:hasRelatedSynonym>PBDE-99</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:28034496</oboInOwl:hasDbXref>
        <ns4:charge>0</ns4:charge>
        <oboInOwl:hasRelatedSynonym>BDE-99</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG:C18203</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:26505652</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:81582</oboInOwl:id>
        <oboInOwl:hasDbXref>PMID:28006665</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:27343407</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>BDE 99</oboInOwl:hasRelatedSynonym>
        <ns4:monoisotopicmass>559.62573</ns4:monoisotopicmass>
        <oboInOwl:hasRelatedSynonym>1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:28557710</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:23258742</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:28317842</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>2,4-dibromophenyl 2,4,5-tribromophenyl ether</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



