<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_48991"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     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="https://w3id.org/chemrof/"
     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="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_48991 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_48991">
        <rdfs:label>7-methylxanthine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">166.04908</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">166.14</ns4:mass>
        <oboInOwl:hasRelatedSynonym>3,7-dihydro-7-methyl-1H-purine-2,6-dione</oboInOwl:hasRelatedSynonym>
        <ns4:generalized_empirical_formula>C6H6N4O2</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>metacyc.compound:7-METHYLXANTHINE</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>reaxys:171027</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>7-methyl-3,7-dihydro-1H-purine-2,6-dione</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:18068204</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>7-methyl-3,7-dihydro-1H-purine-2,6-dione</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>7-methylxanthine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>knapsack:C00007326</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>PFWLFWPASULGAN-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Heteroxanthin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:552-62-5</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Heteroxanthine</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>Cn1cnc2nc(=O)nc(=O)c21</ns4:smiles_string>
        <oboInOwl:hasDbXref>hmdb:HMDB0001991</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)</ns4:inchi_string>
        <ns3:IAO_0000115>An oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine.</ns3:IAO_0000115>
        <oboInOwl:id>CHEBI:48991</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>7-Methylxanthin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:4196487</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11712316</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C16353</oboInOwl:hasDbXref>
        <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 -->



