<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_957"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     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/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


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

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_23822 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_23822">
        <rdfs:label>dinitrotoluene</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_50902 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50902">
        <rdfs:label>genotoxin</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_957 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_957">
        <rdfs:label>2,6-dinitrotoluene</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23822"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50902"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:inchi>InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3</ns5:inchi>
        <oboInOwl:hasDbXref>MetaCyc:CPD-9133</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <ns5:smiles>Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O</ns5:smiles>
        <ns5:monoisotopicmass>182.03276</ns5:monoisotopicmass>
        <oboInOwl:hasExactSynonym>2-methyl-1,3-dinitrobenzene</oboInOwl:hasExactSynonym>
        <ns5:mass>182.13350</ns5:mass>
        <oboInOwl:hasExactSynonym>2,6-dinitrotoluene</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>Beilstein:2052046</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:957</oboInOwl:id>
        <oboInOwl:hasDbXref>KEGG:C11008</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2,6-dinitromethylbenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2,6-DNT</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Reaxys:2052046</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-methyl-2,6-dinitrobenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>2,6-Dinitrotoluene</oboInOwl:hasExactSynonym>
        <ns5:formula>C7H6N2O4</ns5:formula>
        <ns5:inchikey>XTRDKALNCIHHNI-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:hasDbXref>CAS:606-20-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:22155124</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>A dinitrotoluene carrying nitro substituents at positions 2 and 6.</ns4:IAO_0000115>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <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 -->



