@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_71182
metadata_def:mappingLoom "trans3hydroxycotinine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_71182 ;
metadata_def:prefLabel "trans-3-hydroxycotinine" ;
obo_purl:IAO_0000115 "An <em>N</em>-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3<i>R</i>,5<i>S</i>-diastereomer)." ;
oboinowl_gen:hasDbXref "CAS:34834-67-8", "PMID:14680362", "PMID:19838828", "PMID:21208832", "PMID:2131824", "PMID:21689995", "PMID:22014744", "PMID:22228205", "PMID:22394455", "PMID:22770225", "PMID:23313774", "Reaxys:11561", "cas:34834-67-8", "hmdb:HMDB0001390", "metacyc.compound:CPD-2750", "pubmed:14680362", "pubmed:19838828", "pubmed:21208832", "pubmed:2131824", "pubmed:21689995", "pubmed:22014744", "pubmed:22228205", "pubmed:22394455", "pubmed:22770225", "pubmed:23313774", "reaxys:11561" ;
oboinowl_gen:hasExactSynonym "(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one", "(3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone", "3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone", "Hydroxycotinine", "trans-3'-Hydroxycotinine" ;
oboinowl_gen:id "CHEBI:71182" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/3_STAR> ;
a owl:Class ;
rdfs:label "trans-3-hydroxycotinine" ;
rdfs:subClassOf obo_purl:CHEBI_24532, obo_purl:CHEBI_37622 ;
skos:notation "CHEBI:71182" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C10H12N2O2" ;
ns0:inchi_key_string "XOKCJXZZNAUIQN-DTWKUNHWSA-N" ;
ns0:inchi_string "InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1" ;
ns0:mass 192.218 ;
ns0:monoisotopic_mass 192.08988 ;
ns0:smiles_string "[H][C@@]1(c2cccnc2)C[C@@H](O)C(=O)N1C" .
ns2:EFO_0010707
obo_purl:IAO_0000136 obo_purl:CHEBI_71182 .
@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_71182
metadata_def:mappingLoom "trans3hydroxycotinine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_71182 ;
metadata_def:prefLabel "trans-3-hydroxycotinine" ;
obo_purl:IAO_0000115 "An <em>N</em>-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3<i>R</i>,5<i>S</i>-diastereomer)." ;
oboinowl_gen:hasDbXref "CAS:34834-67-8", "PMID:14680362", "PMID:19838828", "PMID:21208832", "PMID:2131824", "PMID:21689995", "PMID:22014744", "PMID:22228205", "PMID:22394455", "PMID:22770225", "PMID:23313774", "Reaxys:11561", "cas:34834-67-8", "hmdb:HMDB0001390", "metacyc.compound:CPD-2750", "pubmed:14680362", "pubmed:19838828", "pubmed:21208832", "pubmed:2131824", "pubmed:21689995", "pubmed:22014744", "pubmed:22228205", "pubmed:22394455", "pubmed:22770225", "pubmed:23313774", "reaxys:11561" ;
oboinowl_gen:hasExactSynonym "(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one", "(3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone", "3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone", "Hydroxycotinine", "trans-3'-Hydroxycotinine" ;
oboinowl_gen:id "CHEBI:71182" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi/3_STAR> ;
a owl:Class ;
rdfs:label "trans-3-hydroxycotinine" ;
rdfs:subClassOf obo_purl:CHEBI_24532, obo_purl:CHEBI_37622 ;
skos:notation "CHEBI:71182" ;
ns0:charge 0 ;
ns0:generalized_empirical_formula "C10H12N2O2" ;
ns0:inchi_key_string "XOKCJXZZNAUIQN-DTWKUNHWSA-N" ;
ns0:inchi_string "InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1" ;
ns0:mass 192.218 ;
ns0:monoisotopic_mass 192.08988 ;
ns0:smiles_string "[H][C@@]1(c2cccnc2)C[C@@H](O)C(=O)N1C" .
ns2:EFO_0010707
obo_purl:IAO_0000136 obo_purl:CHEBI_71182 .