<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_75033"?>
<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_38695 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38695">
        <rdfs:label>anthocyanidin</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_75033 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_75033">
        <rdfs:label>peonidin chloride</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38695"/>
        <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">336.04007</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">336.727</ns4:mass>
        <oboInOwl:hasDbXref>pubmed:23419068</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Peonidin</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>OGBSHLKSHNAPEW-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasAlternativeId>CHEBI:7987</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>wikipedia.en:Peonidin</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0005797</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23419638</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3,4&#39;,5,7-tetrahydroxy-3&#39;-methoxyflavylium chloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium chloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:75033</oboInOwl:id>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:generalized_empirical_formula>C16H13O6.Cl</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>reaxys:3924296</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>An anthocyanidin chloride that has peonidin as the cationic component.</ns3:IAO_0000115>
        <ns4:smiles_string>COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)ccc1O.[Cl-]</ns4:smiles_string>
        <oboInOwl:hasDbXref>cas:134-01-0</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C08726</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H</ns4:inchi_string>
        <oboInOwl:hasExactSynonym>3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium chloride</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



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



