<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CIDO?iri=http://purl.obolibrary.org/obo/CHEBI_63941"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#"
     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: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="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/charge"/>
    <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://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
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/chebi#has_functional_parent -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#has_functional_parent">
        <rdfs:label>has functional parent</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_29534 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_29534">
        <rdfs:label>avermectin B1a</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_63941 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_63941">
        <rdfs:label>22,23-dihydroavermectin B1a</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_63944"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_72600"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#has_functional_parent"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_29534"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasDbXref>PMID:6148214</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:6547280</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:63941</oboInOwl:id>
        <oboInOwl:hasDbXref>PDBeChem:IVM</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(2aE,4E,5&#39;S,6S,6&#39;R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6&#39;-[(2S)-butan-2-yl]-20,20b-dihydroxy-5&#39;,6,8,19-tetramethyl-17-oxo-3&#39;,4&#39;,5&#39;,6,6&#39;,10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2&#39;-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>VSDB:1455</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin.</ns3:IAO_0000115>
        <ns5:formula>C48H74O14</ns5:formula>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>avermectin H2B1a</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>H2B1a</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>5-O-demethyl-22,23-dihydroavermectin A1a</oboInOwl:hasRelatedSynonym>
        <ns5:inchikey>AZSNMRSAGSSBNP-XPNPUAGNSA-N</ns5:inchikey>
        <ns5:smiles>[H][C@@]12C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(CC[C@H](C)[C@]([H])(O1)[C@@H](C)CC)O2)[C@]34O</ns5:smiles>
        <ns5:mass>875.09280</ns5:mass>
        <oboInOwl:hasDbXref>PMID:6125361</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>ivermectin B1a</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>CAS:71827-03-7</oboInOwl:hasDbXref>
        <ns5:monoisotopicmass>874.50786</ns5:monoisotopicmass>
        <ns5:inchi>InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1</ns5:inchi>
        <oboInOwl:hasDbXref>Reaxys:4643153</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>dihydroavermectin B1a</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:2411323</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns3:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_63944 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_63944">
        <rdfs:label>macrocyclic lactone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_72600 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_72600">
        <rdfs:label>spiroketal</rdfs:label>
    </Class>
</rdf:RDF>



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



