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    <!-- http://purl.obolibrary.org/obo/CHEBI_17087 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17087">
        <rdfs:label>ketone</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_82344 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_82344">
        <rdfs:label>Methyl isobutyl ketone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17087"/>
        <oboInOwl:hasRelatedSynonym>4-Methyl-2-pentanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Wikipedia:Methyl_isobutyl_ketone</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:7987494</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:16464817</oboInOwl:hasDbXref>
        <ns3:inchikey>NTIZESTWPVYFNL-UHFFFAOYSA-N</ns3:inchikey>
        <ns3:formula>C6H12O</ns3:formula>
        <oboInOwl:hasRelatedSynonym>Metyloizobutyloketon</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PPDB:1303</oboInOwl:hasDbXref>
        <ns3:mass>100.15890</ns3:mass>
        <oboInOwl:hasRelatedSynonym>2-Methyl-4-pentanal</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Isohexanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-Methyl-2-oxopentane</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG:D04989</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:17314143</oboInOwl:hasDbXref>
        <ns3:charge>0</ns3:charge>
        <oboInOwl:hasRelatedSynonym>Shell mibk</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Methylisobutylketon</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:24657864</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4-Methylpentan-2-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Metilisobutilchetone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>CAS:108-10-1</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Isobutyl methyl ketone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:22284503</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-Methylpropyl methyl ketone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-Metilpentan-2-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-Methyl-4-pentanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:5556886</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Methyl-isobutyl-cetone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Isobutyl-methylketon</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-Methyl-pentan-2-on</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG:C19263</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Methylpentan-2-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>HMDB:HMDB0002939</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>4-methylpentan-2-one</oboInOwl:hasRelatedSynonym>
        <ns3:monoisotopicmass>100.08882</ns3:monoisotopicmass>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns3:smiles>CC(C)CC(C)=O</ns3:smiles>
        <oboInOwl:hasRelatedSynonym>Hexanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Hexon</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-Methyl-2-pentanon</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Methyl I-butyl ketone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:82344</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>Hexone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Isopropylacetone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Isopropyl acetone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:12592578</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Ethyl iso-butyl ketone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:17485256</oboInOwl:hasDbXref>
        <ns3:inchi>InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3</ns3:inchi>
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