<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/MICRO?iri=http://purl.obolibrary.org/obo/CHEBI_63630"?>
<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:ns2="http://purl.obolibrary.org/obo/"
     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/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // 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://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <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_22726 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_22726">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">benzophenones</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_33566 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33566">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">catechols</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_63630 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_63630">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">tolcapone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22726"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33566"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_86421"/>
        <oboInOwl:hasExactSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone</oboInOwl:hasExactSynonym>
        <ns4:monoisotopicmass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">273.064</ns4:monoisotopicmass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#string">273.24080</ns4:mass>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">3,4-Dihydroxy-4&#39;-methyl-5-nitrobenzophenone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">3,4-dihydroxy-4&#39;-methyl-5-nitrobenzophenone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">3,4-dihydroxy-5-nitro-4&#39;-methylbenzophenone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">4&#39;-methyl-3,4-dihydroxy-5-nitrobenzophenone</oboInOwl:hasRelatedSynonym>
        <ns2:IAO_0000115 rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.</ns2:IAO_0000115>
        <ns4:formula rdf:datatype="http://www.w3.org/2001/XMLSchema#string">C14H11NO5</ns4:formula>
        <oboInOwl:id rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CHEBI:63630</oboInOwl:id>
        <oboInOwl:hasAlternativeId rdf:datatype="http://www.w3.org/2001/XMLSchema#string">CHEBI:9617</oboInOwl:hasAlternativeId>
        <ns4:smiles rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O</ns4:smiles>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">DrugBank:DB00323</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Drug_Central:2697</oboInOwl:hasDbXref>
        <ns4:inchi rdf:datatype="http://www.w3.org/2001/XMLSchema#string">InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3</ns4:inchi>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">KEGG:D00786</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">LINCS:LSM-5282</oboInOwl:hasDbXref>
        <ns4:inchikey rdf:datatype="http://www.w3.org/2001/XMLSchema#string">MIQPIUSUKVNLNT-UHFFFAOYSA-N</ns4:inchikey>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PMID:20381177</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PMID:20502133</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PMID:21521027</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">PMID:22136163</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Patent:EP237929</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Patent:US5236952</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Reaxys:8151577</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref rdf:datatype="http://www.w3.org/2001/XMLSchema#string">Wikipedia:Tolcapone</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace rdf:datatype="http://www.w3.org/2001/XMLSchema#string">chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym rdf:datatype="http://www.w3.org/2001/XMLSchema#string">tolcapone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns2:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_86421 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_86421">
        <rdfs:label rdf:datatype="http://www.w3.org/2001/XMLSchema#string">2-nitrophenols</rdfs:label>
    </Class>
</rdf:RDF>



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



