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    <!-- http://purl.obolibrary.org/obo/CHEBI_26658 -->

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        <rdfs:label>sesquiterpenoid</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_5993 -->

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        <rdfs:label>Isocaryophyllene</rdfs:label>
        <rdfs:label>Isocaryophyllene </rdfs:label>
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        <ns3:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns3:charge>
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        <ns3:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">204.357</ns3:mass>
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        <ns3:inchi_key_string>NPNUFJAVOOONJE-FLFDDASRSA-N</ns3:inchi_key_string>
        <oboInOwl:hasDbXref>pubmed:8526491</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15619577</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>beta-caryophyllene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>g-Caryophyllene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:16973189</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:5993</oboInOwl:id>
        <ns3:inchi_string>InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1</ns3:inchi_string>
        <ns3:generalized_empirical_formula>C15H24</ns3:generalized_empirical_formula>
        <oboInOwl:hasDbXref>hmdb:HMDB0061779</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:18415856</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Gamma-Caryophyllene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:118-65-0</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Isocaryophyllene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C09691</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00012474</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:10909279</oboInOwl:hasDbXref>
        <ns3:smiles_string>[H][C@@]12CC/C(C)=CCCC(=C)[C@@]1([H])CC2(C)C</ns3:smiles_string>
        <oboInOwl:hasRelatedSynonym>Caryophyllene</oboInOwl:hasRelatedSynonym>
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        <oboInOwl:hasRelatedSynonym>gamma-Caryophyllene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:20668570</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24421258</oboInOwl:hasDbXref>
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