<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_42223"?>
<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#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_22580 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_22580">
        <rdfs:label>anthraquinone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_42223 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_42223">
        <rdfs:label>emodin</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22580"/>
        <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">270.05282</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">270.24</ns4:mass>
        <oboInOwl:hasDbXref>pubmed:19089830</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:518-82-1</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22484343</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lipidmaps:LMPK13040008</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:42223</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:17022020</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:17340270</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-18994</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB07715</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:EMO</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18473931</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21834668</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22144110</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18387517</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22378302</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>1,3,8-trihydroxy-6-methylanthra-9,10-quinone</oboInOwl:hasExactSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:4782</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>pubmed:12563347</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22137788</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19799875</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16388516</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19409890</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:42221</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>Emodin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C10343</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19505457</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3</ns4:inchi_string>
        <ns4:smiles_string>Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>Schuttgelb</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:16959273</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>RHMXXJGYXNZAPX-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>beilstein:1888141</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Emodin</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:1888141</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C15H10O5</ns4:generalized_empirical_formula>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>1,3,8-trihydroxy-6-methyl-9,10-anthraquinone</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:17019678</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22271272</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22020806</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18193729</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20139316</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19921750</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1,3,8-trihydroxy-6-methyl-9,10-anthracenedione</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>1,3,8-trihydroxy-6-methylanthra-9,10-quinone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:22452333</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22426603</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:12657721</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>knapsack:C00000555</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:16077936</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



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



