<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_7609"?>
<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: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://purl.obolibrary.org/obo/chebi/3_STAR"/>
    <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_36615 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_36615">
        <rdfs:label>triterpenoid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_7609 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_7609">
        <rdfs:label>nomilin</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_36615"/>
        <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">514.22028</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">514.571</ns4:mass>
        <ns4:generalized_empirical_formula>C28H34O9</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:26547535</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:33991286</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:37401768</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:38088731</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>pubmed:32633501</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:25212475</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>KPDOJFFZKAUIOE-WNGDLQANSA-N</ns4:inchi_key_string>
        <oboInOwl:hasExactSynonym>(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(furan-3-yl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:10995325</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16719503</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21839074</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:28551013</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:7609</oboInOwl:id>
        <ns3:IAO_0000115>A limonoid with formula C&lt;small&gt;&lt;sub&gt;28&lt;/sub&gt;&lt;/small&gt;H&lt;small&gt;&lt;sub&gt;34&lt;/sub&gt;&lt;/small&gt;O&lt;small&gt;&lt;sub&gt;9&lt;/sub&gt;&lt;/small&gt;. It is commonly found in edible citrus fruits including lemons, limes, oranges, and grapefruits. The compound exhibits a variety of biological and pharmacological activities including anticancer, antiinflammatory, antiobesity, and antiviral.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pdb-ccd:G3L</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21665879</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:27135815</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:35686814</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:38027676</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:37291126</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21693102</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>agr:IND607340705</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00003722</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:32564468</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:36615463</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:28594916</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:31093421</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:37076464</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:31389456</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:2710645</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C08773</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:26544116</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:36139710</oboInOwl:hasDbXref>
        <ns4:smiles_string>[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>nomilin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:14648393</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-(acetyloxy)-1,2-dihydro-obacunoic acid epsilon-lactone</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_string>InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>cas:1063-77-0</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23374727</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(furan-3-yl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate</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 -->



