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    <!-- http://purl.obolibrary.org/obo/CHEBI_53213 -->

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        <rdfs:label>diisocyanate</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_53578 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53578">
        <rdfs:label>hexamethylene diisocyanate</rdfs:label>
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        <oboInOwl:hasDbXref>PMID:23421488</oboInOwl:hasDbXref>
        <ns5:charge>0</ns5:charge>
        <ns5:formula>C8H12N2O2</ns5:formula>
        <oboInOwl:hasRelatedSynonym>HMDI</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Hexane 1,6-diisocyanate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:22419182</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:16731584</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:11927838</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:6296214</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Beilstein:956709</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:17042142</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:21878336</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:956709</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CAS:822-06-0</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1,6-Diisocyanatohexane</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>168.08988</ns5:monoisotopicmass>
        <ns4:IAO_0000115>A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.</ns4:IAO_0000115>
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        <ns5:mass>168.19310</ns5:mass>
        <oboInOwl:hasRelatedSynonym>1,6-Hexamethylene diisocyanate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>1,6-Hexanediol diisocyanate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:23178851</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Gmelin:50636</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>HDI</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>O=C=NCCCCCCN=C=O</ns5:smiles>
        <oboInOwl:hasExactSynonym>1,6-diisocyanatohexane</oboInOwl:hasExactSynonym>
        <ns5:inchikey>RRAMGCGOFNQTLD-UHFFFAOYSA-N</ns5:inchikey>
        <oboInOwl:hasExactSynonym>Hexamethylene diisocyanate</oboInOwl:hasExactSynonym>
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        <oboInOwl:id>CHEBI:53578</oboInOwl:id>
        <oboInOwl:hasDbXref>PMID:22449630</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:23262421</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:22293954</oboInOwl:hasDbXref>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_59174 -->

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        <rdfs:label>hapten</rdfs:label>
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