<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_142263"?>
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     xmlns:chebi="http://purl.obolibrary.org/obo/chebi/2"
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     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#"
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     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="https://w3id.org/chemrof/">
    


    <!-- 
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    //
    // Annotation properties
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    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/2_STAR"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
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    <!-- 
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    //
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    <!-- http://purl.obolibrary.org/obo/CHEBI_142263 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_142263">
        <rdfs:label>isopeonidin 3-rutinoside</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38697"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_75314"/>
        <ns3:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">1</ns3:charge>
        <ns3:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">609.1814</ns3:monoisotopic_mass>
        <ns3:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">609.557</ns3:mass>
        <ns3:inchi_key_string>CLKYQBTVJZYKOK-HUJUZFAXSA-O</ns3:inchi_key_string>
        <ns3:generalized_empirical_formula>C28H33O15</ns3:generalized_empirical_formula>
        <oboInOwl:hasDbXref>chemspider:30777638</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0041753</oboInOwl:hasDbXref>
        <ns3:smiles_string>COc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O</ns3:smiles_string>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:id>CHEBI:142263</oboInOwl:id>
        <ns3:inchi_string>InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-14(30)6-12(29)7-17(13)41-26(18)11-3-4-16(38-2)15(31)5-11/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1</ns3:inchi_string>
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    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_38697 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38697">
        <rdfs:label>anthocyanin</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_75314 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_75314">
        <rdfs:label>peonidin</rdfs:label>
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<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



