<?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#" xmlns:ns1="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17192"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24730"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37147"/> <skos:notation>CHEBI:17192</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17192"/> <metadata_def:mappingLoom>35dibromo4hydroxybenzonitrile</metadata_def:mappingLoom> <metadata_def:prefLabel>3,5-dibromo-4-hydroxybenzonitrile</metadata_def:prefLabel> <obo_purl:IAO_0000115>A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>3,5-dibromo-4-hydroxybenzonitrile</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>3,5-Dibromo-4-hydroxybenzonitrile</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:hasDbXref>Beilstein:2364039</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Gmelin:1473439</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Bromoxynil</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24458090</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>UM-BBD_compID:c0480</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C04178</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:1689-84-5</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Pesticides:bromoxynil</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11910467</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PPDB:96</oboinowl_gen:hasDbXref> <rdfs:label>3,5-dibromo-4-hydroxybenzonitrile</rdfs:label> <oboinowl_gen:id>CHEBI:17192</oboinowl_gen:id> <oboinowl_gen:hasRelatedSynonym>2,6-dibromo-4-cyanophenol</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>bromoxynil</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasAlternativeId>CHEBI:19898</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:1396</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:11706</oboinowl_gen:hasAlternativeId> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns0:is_conjugate_acid_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_58046"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78298"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35703"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24527"/> <ns1:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_19391"/> <obo_purl:chebi/smiles>Oc1c(Br)cc(cc1Br)C#N</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C7H3Br2NO</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>276.91286</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>UPMXNNIRAGDFEH-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>274.85814</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</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_58046"> <ns0:is_conjugate_base_of> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_17192"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17192"/> </rdf:Description> </ns0:is_conjugate_base_of> </rdf:Description> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000559"> <obo_purl:RO_0002309 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17192"/> </rdf:Description> </rdf:RDF>