<?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:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:metadata="http://data.bioontology.org/metadata/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_91110"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22187"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48975"/> <rdfs:label>o-aminoacetophenone</rdfs:label> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C8H9NO</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>GTDQGKWDWVUKTI-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>135.163</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>135.06841</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>C=1C(=C(C=CC1)N)C(C)=O</obo_purl:chebi/smiles> <metadata_def:prefLabel>o-aminoacetophenone</metadata_def:prefLabel> <obo_purl:IAO_0000115>An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>1-(2-aminophenyl)ethanone</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasRelatedSynonym>1-acetyl-2-aminobenzene</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2'-aminoacetophenone</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-acetylaniline</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-acetylphenylamine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-aminoacetophenone</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>5 kaal</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>o-acetylaniline</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>o-aminoacetylbenzene</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>o-aminophenyl methyl ketone</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>ortho-aminoacetophenone</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>oaminoacetophenone</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_91110"/> <oboinowl_gen:hasDbXref>CAS:551-93-9</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:110829</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:11946045</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21054900</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25043228</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25047450</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25488497</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25614099</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:26777086</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:26804051</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:26935176</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:8920148</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:386122</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:91110</oboinowl_gen:id> <skos:notation>CHEBI:91110</skos:notation> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_22187"/> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48975"/> <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_76969"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_91110"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_91110"/> </rdf:Description> </rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
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    <obo_purl:chebi/charge>0</obo_purl:chebi/charge>
    <obo_purl:chebi/formula>C8H9NO</obo_purl:chebi/formula>
    <obo_purl:chebi/inchi>InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3</obo_purl:chebi/inchi>
    <obo_purl:chebi/inchikey>GTDQGKWDWVUKTI-UHFFFAOYSA-N</obo_purl:chebi/inchikey>
    <obo_purl:chebi/mass>135.163</obo_purl:chebi/mass>
    <obo_purl:chebi/monoisotopicmass>135.06841</obo_purl:chebi/monoisotopicmass>
    <obo_purl:chebi/smiles>C=1C(=C(C=CC1)N)C(C)=O</obo_purl:chebi/smiles>
    <metadata_def:prefLabel>o-aminoacetophenone</metadata_def:prefLabel>
    <obo_purl:IAO_0000115>An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.</obo_purl:IAO_0000115>
    <oboinowl_gen:hasExactSynonym>1-(2-aminophenyl)ethanone</oboinowl_gen:hasExactSynonym>
    <oboinowl_gen:hasRelatedSynonym>1-acetyl-2-aminobenzene</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>2'-aminoacetophenone</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>2-acetylaniline</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>2-acetylphenylamine</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>2-aminoacetophenone</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>5 kaal</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>o-acetylaniline</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>o-aminoacetylbenzene</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>o-aminophenyl methyl ketone</oboinowl_gen:hasRelatedSynonym>
    <oboinowl_gen:hasRelatedSynonym>ortho-aminoacetophenone</oboinowl_gen:hasRelatedSynonym>
    <metadata_def:mappingLoom>oaminoacetophenone</metadata_def:mappingLoom>
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    <oboinowl_gen:id>CHEBI:91110</oboinowl_gen:id>
    <skos:notation>CHEBI:91110</skos:notation>
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