<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/MICRO?iri=http://purl.obolibrary.org/obo/CHEBI_53115"?>
<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#"
     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: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_0000412"/>
    <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://www.geneontology.org/formats/oboInOwl#id"/>
    <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/chebi#has_functional_parent -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#has_functional_parent">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">has functional parent</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_27134 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27134">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">trimethylxanthine</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_27732 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27732">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">caffeine</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_53115 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53115">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">8-(3-chlorostyryl)caffeine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_27134"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_83403"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#has_functional_parent"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_27732"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:monoisotopicmass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">330.088</ns5:monoisotopicmass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">330.76900</ns5:mass>
        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Beilstein:8153842</oboInOwl:hasDbXref>
        <ns5:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C16H15ClN4O2</ns5:formula>
        <oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CHEBI:53115</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CSC</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.</ns3:IAO_0000115>
        <ns5:smiles rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12</ns5:smiles>
        <ns5:inchi rdf:datatype="http://www.w3.org/2001/XMLSchema#string">InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+</ns5:inchi>
        <ns5:inchikey rdf:datatype="http://www.w3.org/2001/XMLSchema#string">WBWFIUAVMCNYPG-BQYQJAHWSA-N</ns5:inchikey>
        <oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns3:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_83403 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_83403">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">monochlorobenzenes</rdfs:label>
    </Class>
</rdf:RDF>



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



