@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix ns0: <https://w3id.org/chemrof/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://www.ebi.ac.uk/efo/> .
obo_purl:CHEBI_229876
metadata_def:mappingLoom "benzoylcarnitine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_229876 ;
metadata_def:prefLabel "benzoylcarnitine" ;
oboinowl_gen:hasDbXref "chemspider:114314", "hmdb:HMDB0240664" ;
oboinowl_gen:hasExactSynonym "(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:id "CHEBI:229876" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/2_STAR> ;
a owl:Class ;
rdfs:label "benzoylcarnitine" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:229876" ;
ns0:charge 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 265.309 ;
ns0:monoisotopic_mass 265.13141 ;
ns0:smiles_string "C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1ccccc1" .
ns2:EFO_0800986
obo_purl:IAO_0000136 obo_purl:CHEBI_229876 .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix ns0: <https://w3id.org/chemrof/> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix ns2: <http://www.ebi.ac.uk/efo/> .
obo_purl:CHEBI_229876
metadata_def:mappingLoom "benzoylcarnitine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_229876 ;
metadata_def:prefLabel "benzoylcarnitine" ;
oboinowl_gen:hasDbXref "chemspider:114314", "hmdb:HMDB0240664" ;
oboinowl_gen:hasExactSynonym "(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(3R)-3-benzoyloxy-4-(trimethylazaniumyl)butanoate" ;
oboinowl_gen:id "CHEBI:229876" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/2_STAR> ;
a owl:Class ;
rdfs:label "benzoylcarnitine" ;
rdfs:subClassOf obo_purl:CHEBI_24431 ;
skos:notation "CHEBI:229876" ;
ns0:charge 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 265.309 ;
ns0:monoisotopic_mass 265.13141 ;
ns0:smiles_string "C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1ccccc1" .
ns2:EFO_0800986
obo_purl:IAO_0000136 obo_purl:CHEBI_229876 .