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    <!-- http://purl.obolibrary.org/obo/CHEBI_52221 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_52221">
        <rdfs:label>isothiocyanate</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_73224 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_73224">
        <rdfs:label>allyl isothiocyanate</rdfs:label>
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        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
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        <oboInOwl:hasRelatedSynonym>volatile mustard oil</oboInOwl:hasRelatedSynonym>
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        <oboInOwl:hasDbXref>pubmed:23535540</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-isothiocyanato-1-propene</oboInOwl:hasRelatedSynonym>
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        <oboInOwl:hasDbXref>reaxys:773748</oboInOwl:hasDbXref>
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        <oboInOwl:hasDbXref>pubmed:23470258</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Allyl_isothiocyanate</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22104119</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>oil of mustard</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>hmdb:HMDB0005843</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An isothiocyanate with the formula CH&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;=CHCH&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt;N=C=S. A colorless oil with boiling point 152°C, it is responsible for the pungent taste of mustard, horseradish, and wasabi.</ns3:IAO_0000115>
        <ns4:generalized_empirical_formula>C4H5NS</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:23757176</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>isothiocyanate d&#39;allyle</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>AIT</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>allyl isothiocyanate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>volatile oil of mustard</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:22093285</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22265303</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21237300</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-isothiocyanatoprop-1-ene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:23212023</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23008020</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Senf oel</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>isothiocyanic acid allyl ester</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>allyl isosulfocyanate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:20174640</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Allylsenfoel</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>2-propenyl isothiocyanate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:21711355</oboInOwl:hasDbXref>
        <ns4:smiles_string>C=CCN=C=S</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>AITC</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:22131350</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.compound:C19317</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>allyl mustard oil</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:23072699</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>oleum sinapis</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>3-isothiocyanatoprop-1-ene</oboInOwl:hasExactSynonym>
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