<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_64098"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     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/"
     xmlns:efo="http://www.ebi.ac.uk/efo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // 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://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_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_64098 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_64098">
        <rdfs:label>N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <rdfs:subClassOf rdf:resource="http://www.ebi.ac.uk/efo/EFO_0004415"/>
        <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">345.15762</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">345.395</ns4:mass>
        <oboInOwl:hasRelatedSynonym>N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine</oboInOwl:hasRelatedSynonym>
        <ns4:inchi_string>InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:19463264</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19686710</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>MESH:C010654</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:7901775</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2-(2&#39;,6&#39;-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:19114413</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20450248</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>GYSZUJHYXCZAKI-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>CiteXplore:19041301</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:20450248</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:64098</oboInOwl:id>
        <oboInOwl:hasDbXref>Reaxys:4206776</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:19463264</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22179423</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-15338</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:22179423</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>WB4101</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>CiteXplore:19114413</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18850495</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:7901775</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:4206776</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:21475142</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>WB 4101</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>CiteXplore:20554480</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20554480</oboInOwl:hasDbXref>
        <ns4:smiles_string>COc1cccc(OC)c1OCCNCC1COc2ccccc2O1</ns4:smiles_string>
        <oboInOwl:hasDbXref>CiteXplore:21219971</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2-(2&#39;,6&#39;-Dimethoxy)phenoxyethylamino)methylbenzodioxan</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:21219971</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20862454</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19041301</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21535246</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:21146475</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:20862454</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:21535246</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:19686710</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChEMBL:133675</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C19H23NO5</ns4:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>pubmed:21146475</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>WB-4101</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2&#39;,6&#39;-dimethoxyphenoxy)ethylamino]methyl group at position 2. An α1A-adrenergic selective antagonist.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:21475142</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>CiteXplore:18850495</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://www.ebi.ac.uk/efo/EFO_0004415 -->

    <Class rdf:about="http://www.ebi.ac.uk/efo/EFO_0004415">
        <rdfs:label>ionic salt</rdfs:label>
    </Class>
</rdf:RDF>



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



