<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_34656"?>
<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_34656 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_34656">
        <rdfs:label>cumene</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38976"/>
        <ns4:monoisotopicmass>120.09390</ns4:monoisotopicmass>
        <oboInOwl:hasDbXref>MetaCyc:CPD0-2360</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:Cumene</oboInOwl:hasDbXref>
        <ns4:charge>0</ns4:charge>
        <oboInOwl:hasDbXref>PMID:24441387</oboInOwl:hasDbXref>
        <ns4:smiles>CC(C)c1ccccc1</ns4:smiles>
        <oboInOwl:hasExactSynonym>(propan-2-yl)benzene</oboInOwl:hasExactSynonym>
        <oboInOwl:id>CHEBI:34656</oboInOwl:id>
        <oboInOwl:hasExactSynonym>Cumene</oboInOwl:hasExactSynonym>
        <ns4:inchikey>RWGFKTVRMDUZSP-UHFFFAOYSA-N</ns4:inchikey>
        <oboInOwl:hasRelatedSynonym>Isopropylbenzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:19340095</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Beilstein:1236613</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(1-Methylethyl)benzene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>HMDB:HMDB0034029</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG:C14396</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-Phenylpropane</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>An alkylbenzene that is benzene carrying an isopropyl group.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>Reaxys:1236613</oboInOwl:hasDbXref>
        <ns4:formula>C9H12</ns4:formula>
        <oboInOwl:hasDbXref>CAS:98-82-8</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Patent:KR20140001929</oboInOwl:hasDbXref>
        <ns4:inchi>InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3</ns4:inchi>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:mass>120.19158</ns4:mass>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_38976 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38976">
        <rdfs:label>alkylbenzene</rdfs:label>
    </Class>
</rdf:RDF>



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



