<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_133348"?>
<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_133348 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_133348">
        <rdfs:label>glycitein 7-(6-O-acetyl-beta-D-glucoside)</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_34778"/>
        <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">488.13186</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">488.445</ns4:mass>
        <oboInOwl:hasDbXref>pubmed:11879011</oboInOwl:hasDbXref>
        <ns4:smiles_string>COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O</ns4:smiles_string>
        <oboInOwl:hasDbXref>pubmed:22980879</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18729453</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:9848519</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19256558</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00019122</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>6&#39;&#39;-O-Acetylglycitin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Glycitin 6&#39;&#39;-O-acetate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:134859-96-4</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>chemspider:8403585</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside</oboInOwl:hasExactSynonym>
        <oboInOwl:hasRelatedSynonym>glycitein 7-O-beta-D-(6&#39;&#39;-O-acetyl)glucoside</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>hmdb:HMDB0039489</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>agr:IND44656670</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:133348</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:21614173</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Acetylglycitin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>agr:IND43644848</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>DUBPGEJGGVZKDD-PFKOEMKTSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>glycitein 7-O-beta-D-(6&#39;&#39;-O-acetyl)glucopyranoside</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Glycitein 6&#39;&#39;-O-acetylglucoside</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_string>InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>7,4&#39;-Dihydroxy-6-methoxyisoflavone 7-O-(6&#39;&#39;-acetylglucoside)</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside)</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>agr:IND604381583</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety.</ns3:IAO_0000115>
        <oboInOwl:hasExactSynonym xml:lang="en">acetyl glycitin</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>pubmed:16038195</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:4341444</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C24H24O11</ns4:generalized_empirical_formula>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_34778 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_34778">
        <rdfs:label>glycitein</rdfs:label>
    </Class>
</rdf:RDF>



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



