{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","ns0":"https://w3id.org/chemrof/","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns1":"http://purl.obolibrary.org/obo/chebi/","metadata_def":"http://data.bioontology.org/metadata/def/","ns2":"http://www.ebi.ac.uk/efo/"},"@graph":[{"@id":"obo_purl:CHEBI_229876","@type":"owl:Class","rdfs:subClassOf":{"@id":"obo_purl:CHEBI_24431"},"rdfs:label":"benzoylcarnitine","ns0:charge":{"@type":"http://www.w3.org/2001/XMLSchema#integer","@value":"0"},"ns0:generalized_empirical_formula":"C14H19NO4","ns0:inchi_key_string":"AWUHAZDZHNWQAG-GFCCVEGCSA-N","ns0:inchi_string":"InChI=1S/C14H19NO4/c1-15(2,3)10-12(9-13(16)17)19-14(18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1","ns0:mass":{"@type":"http://www.w3.org/2001/XMLSchema#decimal","@value":"265.309"},"ns0:monoisotopic_mass":{"@type":"http://www.w3.org/2001/XMLSchema#decimal","@value":"265.13141"},"ns0:smiles_string":"C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1ccccc1","skos:notation":"CHEBI:229876","oboinowl_gen:hasExactSynonym":"(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate","oboinowl_gen:hasDbXref":["chemspider:114314","hmdb:HMDB0240664"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:229876","oboinowl_gen:inSubset":{"@id":"ns1:2_STAR"},"metadata_def:prefLabel":"benzoylcarnitine","oboinowl_gen:hasRelatedSynonym":"(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate","metadata_def:mappingLoom":"benzoylcarnitine","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_229876"}},{"@id":"ns2:EFO_0800986","obo_purl:IAO_0000136":{"@id":"obo_purl:CHEBI_229876"}}]}
{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","ns0":"https://w3id.org/chemrof/","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns1":"http://purl.obolibrary.org/obo/chebi/","metadata_def":"http://data.bioontology.org/metadata/def/","ns2":"http://www.ebi.ac.uk/efo/"},"@graph":[{"@id":"obo_purl:CHEBI_229876","@type":"owl:Class","rdfs:subClassOf":{"@id":"obo_purl:CHEBI_24431"},"rdfs:label":"benzoylcarnitine","ns0:charge":{"@type":"http://www.w3.org/2001/XMLSchema#integer","@value":"0"},"ns0:generalized_empirical_formula":"C14H19NO4","ns0:inchi_key_string":"AWUHAZDZHNWQAG-GFCCVEGCSA-N","ns0:inchi_string":"InChI=1S/C14H19NO4/c1-15(2,3)10-12(9-13(16)17)19-14(18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1","ns0:mass":{"@type":"http://www.w3.org/2001/XMLSchema#decimal","@value":"265.309"},"ns0:monoisotopic_mass":{"@type":"http://www.w3.org/2001/XMLSchema#decimal","@value":"265.13141"},"ns0:smiles_string":"C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1ccccc1","skos:notation":"CHEBI:229876","oboinowl_gen:hasExactSynonym":"(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate","oboinowl_gen:hasDbXref":["chemspider:114314","hmdb:HMDB0240664"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:229876","oboinowl_gen:inSubset":{"@id":"ns1:2_STAR"},"metadata_def:prefLabel":"benzoylcarnitine","oboinowl_gen:hasRelatedSynonym":"(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate","metadata_def:mappingLoom":"benzoylcarnitine","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_229876"}},{"@id":"ns2:EFO_0800986","obo_purl:IAO_0000136":{"@id":"obo_purl:CHEBI_229876"}}]}