<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_55381"?>
<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#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="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <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://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <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://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/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_55380 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_55380">
        <rdfs:label>beta-hydroxy ketone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_55381 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_55381">
        <rdfs:label>diacetone alcohol</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_55380"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76924"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:monoisotopicmass>116.08373</ns5:monoisotopicmass>
        <ns5:inchi>InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3</ns5:inchi>
        <ns5:smiles>CC(=O)CC(C)(C)O</ns5:smiles>
        <oboInOwl:hasRelatedSynonym>2-Methyl-2-pentanol-4-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Diacetonalkohol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-hydroxy-4-methylpentan-2-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Wikipedia:Diacetone_alcohol</oboInOwl:hasDbXref>
        <ns5:formula>C6H12O2</ns5:formula>
        <oboInOwl:hasRelatedSynonym>4-Hydroxy-2-keto-4-methylpentane</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Diacetonyl alcohol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4-Hydroxy-4-methyl-2-pentanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:55381</oboInOwl:id>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>PMID:16718565</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CAS:123-42-2</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Acetonyldimethylcarbinol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:18155147</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Beilstein:1740440</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasDbXref>HMDB:HMDB0031511</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:1740440</oboInOwl:hasDbXref>
        <ns5:inchikey>SWXVUIWOUIDPGS-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:hasRelatedSynonym>Diacetone-alcool</oboInOwl:hasRelatedSynonym>
        <ns4:IAO_0000115>A beta-hydroxy ketone formed by hydroxylation of 4-methylpentan-2-one at the 4-position. It has been isolated from Achnatherum robustum.</ns4:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>Dimethyl acetonyl carbinol</oboInOwl:hasRelatedSynonym>
        <ns5:mass>116.15830</ns5:mass>
        <oboInOwl:hasDbXref>PMID:24227491</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


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

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_76924">
        <rdfs:label>plant metabolite</rdfs:label>
    </Class>
</rdf:RDF>



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



