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    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

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        <rdfs:label xml:lang="en">has role</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_34800 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_34800">
        <rdfs:label>isophorone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_3992"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51689"/>
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        <ns5:formula>C9H14O</ns5:formula>
        <oboInOwl:hasDbXref>KNApSAcK:C00030540</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1,1,3-Trimethyl-3-cyclohexene-5-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:23472460</oboInOwl:hasDbXref>
        <ns5:smiles>CC1=CC(=O)CC(C)(C)C1</ns5:smiles>
        <ns5:monoisotopicmass>138.10447</ns5:monoisotopicmass>
        <oboInOwl:hasDbXref>PMID:23923622</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Izoforon</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:23183344</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:Isophorone</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>HMDB:HMDB0031195</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:id>CHEBI:34800</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>3,5,5-Trimethyl-2-cyclohexen-1-on</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>Isophorone</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>Isooctopherone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Isoacetophorone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>3,5,5-trimethylcyclohex-2-en-1-one</oboInOwl:hasExactSynonym>
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        <oboInOwl:hasRelatedSynonym>Isoforone</oboInOwl:hasRelatedSynonym>
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        <oboInOwl:hasDbXref>PMID:23506080</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG:C14743</oboInOwl:hasDbXref>
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        <oboInOwl:hasDbXref>Reaxys:1280721</oboInOwl:hasDbXref>
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        <ns5:inchikey>HJOVHMDZYOCNQW-UHFFFAOYSA-N</ns5:inchikey>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_3992 -->

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        <rdfs:label>cyclic ketone</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_46787 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_46787">
        <rdfs:label>solvent</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_51689 -->

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        <rdfs:label>enone</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_76924 -->

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        <rdfs:label>plant metabolite</rdfs:label>
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