<?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:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_34104"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50632"/> <rdfs:label>1-nitronaphthalene</rdfs:label> <skos:notation>CHEBI:34104</skos:notation> <obo_purl:IAO_0000115>A mononitronaphthalene substituted by a nitro group at position 1.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>1-Nitronaphthalene</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>1-nitronaphthalene</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>Beilstein:1867714</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:86-57-7</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C14040</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21264431</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21420130</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21922113</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22894348</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23013142</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:9020398</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1867714</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:34104</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>1-nitronaphthalene</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>Nitrol</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>alpha-nitronaphthalene</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>1nitronaphthalene</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_34104"/> <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_75771"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C10H7NO2</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>RJKGJBPXVHTNJL-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>173.16812</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>173.04768</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>[O-][N+](=O)c1cccc2ccccc12</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000605"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_34104"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_34104"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>