<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_52289"?>
<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: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://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_52289 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_52289">
        <rdfs:label>wortmannin</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <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">428.14712</ns3:monoisotopic_mass>
        <ns3:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">428.437</ns3:mass>
        <oboInOwl:hasDbXref>pubmed:32052028</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22056625</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19805105</oboInOwl:hasDbXref>
        <ns3:smiles_string>[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O</ns3:smiles_string>
        <ns3:inchi_string>InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1</ns3:inchi_string>
        <oboInOwl:hasDbXref>pubmed:34306363</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>pubmed:22003059</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22524784</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>metacyc.compound:CPD-11924</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:11090628</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:KWT</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:30036994</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25449276</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28000865</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Wartmannin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-3947</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00023672</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20017609</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Wortmannin</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:27375631</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB08059</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28474885</oboInOwl:hasDbXref>
        <ns3:inchi_key_string>QDLHCMPXEPAAMD-QAIWCSMKSA-N</ns3:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>(1S,6bR,9aS,11R,11bR)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:18703838</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:52289</oboInOwl:id>
        <oboInOwl:hasAlternativeId>CHEBI:43674</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>kegg.compound:C15181</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0259902</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:19545-26-7</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:67676</oboInOwl:hasDbXref>
        <ns3:generalized_empirical_formula>C23H24O8</ns3:generalized_empirical_formula>
        <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 -->



