<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_30802"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi2="http://purl.obolibrary.org/obo/chebi#"
     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="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <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/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_26094 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_26094">
        <rdfs:label>benzenedicarboxylic acid</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_30802 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_30802">
        <rdfs:label>isophthalic acid</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_26094"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_30804"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>IPA</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>m-benzenedicarboxylic acid</oboInOwl:hasRelatedSynonym>
        <ns5:formula>C8H6O4</ns5:formula>
        <oboInOwl:id>CHEBI:30802</oboInOwl:id>
        <oboInOwl:hasExactSynonym>benzene-1,3-dicarboxylic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>Gmelin:27618</oboInOwl:hasDbXref>
        <ns5:inchikey>QQVIHTHCMHWDBS-UHFFFAOYSA-N</ns5:inchikey>
        <ns5:mass>166.13084</ns5:mass>
        <oboInOwl:hasDbXref>Wikipedia:Isophthalic_acid</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Beilstein:1909332</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:1909332</oboInOwl:hasDbXref>
        <ns5:inchi>InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)</ns5:inchi>
        <ns5:smiles>OC(=O)c1cccc(c1)C(O)=O</ns5:smiles>
        <oboInOwl:hasRelatedSynonym>meta-benzenedicarboxylic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>CAS:121-91-5</oboInOwl:hasDbXref>
        <ns5:monoisotopicmass>166.02661</ns5:monoisotopicmass>
        <ns5:charge>0</ns5:charge>
        <ns4:IAO_0000115>A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>PMID:24101250</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>MetaCyc:CPD0-1267</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_30804 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_30804">
        <rdfs:label>isophthalate(1-)</rdfs:label>
    </Class>
</rdf:RDF>



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



