<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_17263"?>
<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/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // 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#hasAlternativeId"/>
    <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_17263 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17263">
        <rdfs:label>estrone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35341"/>
        <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">270.16198</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">270.372</ns4:mass>
        <oboInOwl:hasDbXref>wikipedia.en:Estrone</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00655</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:FR1305992</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>knapsack:C00003663</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:J3Z</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Estrone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:17263</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>follicular hormone</oboInOwl:hasRelatedSynonym>
        <ns4:generalized_empirical_formula>C18H22O2</ns4:generalized_empirical_formula>
        <oboInOwl:hasExactSynonym>3-hydroxyestra-1,3,5(10)-trien-17-one</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C00468</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>estrone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:15784278</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:3188</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>hmdb:HMDB0000145</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:14220</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>folliculin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:53-16-7</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24390165</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-3837</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-hydroxyestra-1,3,5(10)-trien-17-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:11786692</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:1915077</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:23971</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>oestrone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:13908815</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D00067</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19610377</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lipidmaps:LMST02010004</oboInOwl:hasDbXref>
        <ns4:smiles_string>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]</ns4:smiles_string>
        <ns4:inchi_key_string>DNXHEGUUPJUMQT-CBZIJGRNSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>gmelin:542591</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:US1967350</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:US1967351</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24398390</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.</ns3:IAO_0000115>
        <oboInOwl:hasAlternativeId>CHEBI:4870</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>3-Hydroxy-1,3,5(10)-estratrien-17-one</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:17447557</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23647561</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_33853 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33853">
        <rdfs:label>phenols</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35341 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35341">
        <rdfs:label>steroid</rdfs:label>
    </Class>
</rdf:RDF>



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



