<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CDNO?iri=http://purl.obolibrary.org/obo/CHEBI_28478"?>
<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_28478 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_28478">
        <rdfs:label>(2-hydroxyphenyl)acetic acid</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/>
        <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">152.04734</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">152.149</ns4:mass>
        <oboInOwl:hasDbXref>hmdb:HMDB0000669</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22770225</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>2&#39;-hydroxyphenylacetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:19655</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>(2-hydroxyphenyl)acetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:13658992</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pdb-ccd:OHP</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>2-hydroxybenzeneacetic acid</oboInOwl:hasRelatedSynonym>
        <ns3:IAO_0000115>A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.</ns3:IAO_0000115>
        <oboInOwl:hasExactSynonym>(2-hydroxyphenyl)acetic acid</oboInOwl:hasExactSynonym>
        <ns4:inchi_key_string>CCVYRRGZDBSHFU-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasAlternativeId>CHEBI:1169</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>2-hydroxyphenylacetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:614-75-5</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C8H8O3</ns4:generalized_empirical_formula>
        <oboInOwl:hasDbXref>kegg.compound:C05852</oboInOwl:hasDbXref>
        <ns4:smiles_string>O=C(O)Cc1ccccc1O</ns4:smiles_string>
        <ns4:inchi_string>InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)</ns4:inchi_string>
        <oboInOwl:hasRelatedSynonym>o-hydroxyphenylacetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>(o-hydroxyphenyl)acetic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:28478</oboInOwl:id>
        <oboInOwl:hasDbXref>reaxys:908000</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>
</rdf:RDF>



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



