<?xml version="1.0"?>
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    <!-- 
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    //
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/2_STAR"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_23849 -->

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        <rdfs:label>diterpenoid</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_5920 -->

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        <rdfs:label>Ineketone</rdfs:label>
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        <ns3:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns3:charge>
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        <ns3:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">318.457</ns3:mass>
        <ns3:generalized_empirical_formula>C20H30O3</ns3:generalized_empirical_formula>
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        <ns3:smiles_string>[H][C@@]12CCCC(C)(C)[C@@]1(O)CC(=O)C1=C[C@](C)(C=C)C[C@H](O)[C@]12C</ns3:smiles_string>
        <ns3:inchi_key_string>BWRPYSJNBVBIRP-FLFBIERCSA-N</ns3:inchi_key_string>
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        <ns3:inchi_string>InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1</ns3:inchi_string>
        <oboInOwl:hasDbXref>hmdb:HMDB0036698</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Ineketone</oboInOwl:hasRelatedSynonym>
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<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



