<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_149610"?>
<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_149610 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_149610">
        <rdfs:label>(+)-catechin-3&#39;-methyl ether</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_26195"/>
        <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">304.09469</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">304.298</ns4:mass>
        <oboInOwl:hasExactSynonym>(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol</oboInOwl:hasExactSynonym>
        <ns4:inchi_string>InChI=1S/C16H16O6/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/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:18251504</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3&#39;-O-methylcyanidanol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>lipidmaps:LMPK12020142</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C16H16O6</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>pubmed:25612442</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:149610</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:3604252</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:6861797</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(+)-3&#39;-O-methylcatechin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:inchi_key_string>NJHJXXLBWQXMRO-XJKSGUPXSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>pubmed:17536823</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:10460201</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:7669281</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:14611196</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3&#39;-O-methylcatechin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>3&#39;-O-methyl-(+)-catechin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>hmdb:HMDB0041507</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2R-trans)-3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)ccc1O</ns4:smiles_string>
        <ns3:IAO_0000115>A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3&#39; has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>foodb.food:FDB021479</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:60383-97-3</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:6111433</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_26195 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_26195">
        <rdfs:label>polyphenol</rdfs:label>
    </Class>
</rdf:RDF>



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



