<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_27949"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     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="https://w3id.org/chemrof/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


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

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_27949 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27949">
        <rdfs:label>(E)-sinapaldehyde</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">208.07356</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">208.213</ns4:mass>
        <ns4:generalized_empirical_formula>C11H12O4</ns4:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>(E)-sinapaldehyde</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:23561163</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>Sinapoyl aldehyde</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:26684</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>sinapyl aldehyde</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:4206-58-0</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>pubmed:28878036</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C05610</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Sinapaldehyde</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>reaxys:2215799</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22466741</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:9153</oboInOwl:hasAlternativeId>
        <oboInOwl:id>CHEBI:27949</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:21080014</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Sinapaldehyde</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>CDICDSOGTRCHMG-ONEGZZNKSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>metacyc.compound:SINAPALDEHYDE</oboInOwl:hasDbXref>
        <ns4:smiles_string>[H]C(=O)/C=C/c1cc(OC)c(O)c(OC)c1</ns4:smiles_string>
        <oboInOwl:hasDbXref>knapsack:C00002775</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(E)-sinapoyl aldehyde</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:22034160</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_33853 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33853">
        <rdfs:label>phenols</rdfs:label>
    </Class>
</rdf:RDF>



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



