<?xml version="1.0"?>
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    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
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    <!-- 
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    <!-- 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_38697 -->

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


    <!-- http://purl.obolibrary.org/obo/CHEBI_74811 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_74811">
        <rdfs:label>cyanidin 3-O-beta-D-sambubioside</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38695"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38697"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">1</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">581.1501</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">581.503</ns4:mass>
        <oboInOwl:hasDbXref>pubmed:22980784</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:74811</oboInOwl:id>
        <ns4:inchi_string>InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1</ns4:inchi_string>
        <oboInOwl:hasExactSynonym>2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-xylopyranosyl-(1-&gt;2)-beta-D-glucopyranoside</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C20490</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-xylopyranosyl-(1-&gt;2)-beta-D-glucopyranoside</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>An anthocyanidin 3-&lt;em&gt;O&lt;/em&gt;-β-&lt;small&gt;D&lt;/small&gt;-sambubioside having cyanidin as the anthocyanidin component.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>reaxys:3898420</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23561151</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20228037</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C26H29O15</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:22900515</oboInOwl:hasDbXref>
        <ns4:smiles_string>OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>Cyanidin 3-sambubioside</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:33012-73-6</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:inchi_key_string>ZPPQIOUITZSYAO-AOBOYTTNSA-O</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>Cyanidin 3-O-sambubioside</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>hmdb:HMDB0037976</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19807153</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
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