<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_28853"?>
<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:obo="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="https://w3id.org/chemrof/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <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://purl.obolibrary.org/obo/chebi/3_STAR"/>
    <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_24698 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24698">
        <rdfs:label>hydroxyflavone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_28853 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28853">
        <rdfs:label>isopimpinellin</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24698"/>
        <ns3:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns3:charge>
        <ns3:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">246.05282</ns3:monoisotopic_mass>
        <ns3:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">246.218</ns3:mass>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-25618</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4,9-dimethoxy-7H-furo[3,2-g]chromen-7-one</oboInOwl:hasRelatedSynonym>
        <ns3:smiles_string>COc1c2ccoc2c(OC)c2oc(=O)ccc12</ns3:smiles_string>
        <oboInOwl:id>CHEBI:28853</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>isopimpinellin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>knapsack:C00000583</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>beilstein:262337</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5,8-Dimethoxypsoralene</oboInOwl:hasRelatedSynonym>
        <ns3:generalized_empirical_formula>C13H10O5</ns3:generalized_empirical_formula>
        <oboInOwl:hasExactSynonym>4,9-dimethoxy-7H-furo[3,2-g]chromen-7-one</oboInOwl:hasExactSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:6040</oboInOwl:hasAlternativeId>
        <ns3:inchi_string>InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3</ns3:inchi_string>
        <oboInOwl:hasDbXref>cas:482-27-9</oboInOwl:hasDbXref>
        <ns3:inchi_key_string>DFMAXQKDIGCMTL-UHFFFAOYSA-N</ns3:inchi_key_string>
        <oboInOwl:hasAlternativeId>CHEBI:23815</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>Isopimpinellin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>5,8-Dimethoxypsoralen</oboInOwl:hasRelatedSynonym>
        <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 -->



