<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_28241"?>
<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#hasAlternativeId"/>
    <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_28241 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28241">
        <rdfs:label>papaverine</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">339.14706</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">339.391</ns4:mass>
        <oboInOwl:hasDbXref>wikipedia.en:Papaverine</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from &lt;em&gt;Papaver somniferum&lt;/em&gt;.</ns3:IAO_0000115>
        <ns4:inchi_string>InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3</ns4:inchi_string>
        <oboInOwl:hasDbXref>metacyc.compound:CPD-15742</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0015245</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB01113</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D07425</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11971205</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00027467</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C20H21NO4</ns4:generalized_empirical_formula>
        <ns4:smiles_string>COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC</ns4:smiles_string>
        <oboInOwl:hasDbXref>pdb-ccd:EV1</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C06533</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:58-74-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:2056</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:312930</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00001899</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:24414229</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:25852</oboInOwl:hasAlternativeId>
        <ns4:inchi_key_string>XQYZDYMELSJDRZ-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-2338</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:id>CHEBI:28241</oboInOwl:id>
        <oboInOwl:hasAlternativeId>CHEBI:7918</oboInOwl:hasAlternativeId>
        <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 -->



