<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_75619"?>
<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#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_166895 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_166895">
        <rdfs:label>procyanidin</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_75619 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_75619">
        <rdfs:label>procyanidin B6</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_166895"/>
        <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">578.14243</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">578.526</ns4:mass>
        <ns4:smiles_string>Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>(2R,2&#39;R,3S,3&#39;S,4R)-2,2&#39;-bis(3,4-dihydroxyphenyl)-3,3&#39;,4,4&#39;-tetrahydro-2H,2&#39;H-4,6&#39;-bichromene-3,3&#39;,5,5&#39;,7,7&#39;-hexol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Catechin-(4alpha-&gt;6)-catechin</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 6&#39; in α-configuration. Procyanidin B6 is isolated from leaves and fruit of cowberry &lt;em&gt;Vaccinium vitis-idaea&lt;/em&gt; and other plants. It can also be found in grape seeds and in beer.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:23625307</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Procyanidin dimer B6</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_key_string>GMISZFQPFDAPGI-ZBRHZRBFSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Catechin(4a-&gt;6)catechin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasExactSynonym>(2R,2&#39;R,3S,3&#39;S,4R)-2,2&#39;-bis(3,4-dihydroxyphenyl)-3,3&#39;,4,4&#39;-tetrahydro-2H,2&#39;H-4,6&#39;-bichromene-3,3&#39;,5,5&#39;,7,7&#39;-hexol</oboInOwl:hasExactSynonym>
        <oboInOwl:id>CHEBI:75619</oboInOwl:id>
        <oboInOwl:hasDbXref>wikipedia.en:Procyanidin_B6</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0038367</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C30H26O12</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>reaxys:3586527</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28-,29+,30+/m0/s1</ns4:inchi_string>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>C-(4,6)-C</oboInOwl:hasRelatedSynonym>
        <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 -->



