<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_58046"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50525"/> <skos:notation>CHEBI:58046</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_58046"/> <metadata_def:mappingLoom>35dibromo4oxidobenzonitrile1</metadata_def:mappingLoom> <metadata_def:prefLabel>3,5-dibromo-4-oxidobenzonitrile(1-)</metadata_def:prefLabel> <obo_purl:IAO_0000115>The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>2,6-dibromo-4-cyanophenolate</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <rdfs:label>3,5-dibromo-4-oxidobenzonitrile(1-)</rdfs:label> <oboinowl_gen:id>CHEBI:58046</oboinowl_gen:id> <oboinowl_gen:hasRelatedSynonym>3,5-dibromo-4-hydroxybenzonitrile</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2,6-dibromo-4-cyanobenzen-1-olate</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>3,5-dibromo-4-oxidobenzonitrile</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2,6-dibromo-4-cyanophenolate anion</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>3,5-dibromo-4-oxidobenzonitrile anion</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns0:is_conjugate_base_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17192"/> <obo_purl:chebi/smiles>[O-]c1c(Br)cc(cc1Br)C#N</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C7H2Br2NO</obo_purl:chebi/formula> <obo_purl:chebi/charge>-1</obo_purl:chebi/charge> <obo_purl:chebi/mass>275.90500</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>UPMXNNIRAGDFEH-UHFFFAOYSA-M</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>273.85086</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_17192"> <ns0:is_conjugate_acid_of> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_58046"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_58046"/> </rdf:Description> </ns0:is_conjugate_acid_of> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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    <metadata_def:prefLabel>3,5-dibromo-4-oxidobenzonitrile(1-)</metadata_def:prefLabel>
    <obo_purl:IAO_0000115>The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.</obo_purl:IAO_0000115>
    <oboinowl_gen:hasExactSynonym>2,6-dibromo-4-cyanophenolate</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
    <rdfs:label>3,5-dibromo-4-oxidobenzonitrile(1-)</rdfs:label>
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    <oboinowl_gen:hasRelatedSynonym>2,6-dibromo-4-cyanobenzen-1-olate</oboinowl_gen:hasRelatedSynonym>
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    <oboinowl_gen:hasRelatedSynonym>2,6-dibromo-4-cyanophenolate anion</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>3,5-dibromo-4-oxidobenzonitrile anion</oboinowl_gen:hasRelatedSynonym>
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    <obo_purl:chebi/formula>C7H2Br2NO</obo_purl:chebi/formula>
    <obo_purl:chebi/charge>-1</obo_purl:chebi/charge>
    <obo_purl:chebi/mass>275.90500</obo_purl:chebi/mass>
    <obo_purl:chebi/inchikey>UPMXNNIRAGDFEH-UHFFFAOYSA-M</obo_purl:chebi/inchikey>
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    <obo_purl:chebi/inchi>InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H/p-1</obo_purl:chebi/inchi>
  </owl:Class>
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