<?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#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_73163"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33860"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50996"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35358"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35716"/> <skos:notation>CHEBI:73163</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73163"/> <metadata_def:mappingLoom>oryzalin</metadata_def:mappingLoom> <metadata_def:prefLabel>oryzalin</metadata_def:prefLabel> <obo_purl:IAO_0000115>A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>4-(dipropylamino)-3,5-dinitrobenzenesulfonamide</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:hasDbXref>PMID:20405146</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Patent:US2012108430</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22771930</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:2177305</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:19044-88-3</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20870876</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PPDB:494</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Oryzalin</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21983568</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23261650</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C18877</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Pesticides:19044-88-3</oboinowl_gen:hasDbXref> <rdfs:label>oryzalin</rdfs:label> <oboinowl_gen:id>CHEBI:73163</oboinowl_gen:id> <oboinowl_gen:hasRelatedSynonym>4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>3,5-dinitro-N(4),N(4)-dipropylsulfanilamide</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>3,5-Dinitro-N4,N4-dipropylsulphanilamide</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_64911"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33286"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24527"/> <obo_purl:chebi/smiles>CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C12H18N4O6S</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>346.36000</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>UNAHYJYOSSSJHH-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>346.09471</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9001205"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73163"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73163"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>