@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: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata: <http://data.bioontology.org/metadata/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_83527
metadata_def:mappingLoom "odesmethylvenlafaxine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_83527 ;
metadata_def:prefLabel "O-desmethylvenlafaxine" ;
metadata:treeView obo_purl:CHEBI_23480, obo_purl:CHEBI_33853, obo_purl:CHEBI_50996 ;
obo_purl:IAO_0000115 "A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine." ;
obo_purl:RO_0000087 obo_purl:CHEBI_35469, obo_purl:CHEBI_49103, obo_purl:CHEBI_83399 ;
ns0:charge "0" ;
ns0:formula "C16H25NO2" ;
ns0:inchi "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3" ;
ns0:inchikey "KYYIDSXMWOZKMP-UHFFFAOYSA-N" ;
ns0:mass "263.37520" ;
ns0:monoisotopicmass "263.18853" ;
ns0:smiles "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1" ;
oboinowl_gen:hasDbXref "CAS:93413-62-8", "DrugBank:DB06700", "Drug_Central:4380", "HMDB:HMDB0015646", "KEGG:D07793", "PMID:24493333", "PMID:24502274", "PMID:24989434", "PMID:25086830", "PMID:25188033", "Reaxys:4234613", "Wikipedia:Desvenlafaxine" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol", "4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol", "desvenlafaxine" ;
oboinowl_gen:id "CHEBI:83527" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "O-desmethylvenlafaxine" ;
rdfs:subClassOf obo_purl:CHEBI_23480, obo_purl:CHEBI_33853, obo_purl:CHEBI_50996 ;
skos:notation "CHEBI:83527" .
@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: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata: <http://data.bioontology.org/metadata/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_83527
metadata_def:mappingLoom "odesmethylvenlafaxine" ;
metadata_def:mappingSameURI obo_purl:CHEBI_83527 ;
metadata_def:prefLabel "O-desmethylvenlafaxine" ;
metadata:treeView obo_purl:CHEBI_23480, obo_purl:CHEBI_33853, obo_purl:CHEBI_50996 ;
obo_purl:IAO_0000115 "A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine." ;
obo_purl:RO_0000087 obo_purl:CHEBI_35469, obo_purl:CHEBI_49103, obo_purl:CHEBI_83399 ;
ns0:charge "0" ;
ns0:formula "C16H25NO2" ;
ns0:inchi "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3" ;
ns0:inchikey "KYYIDSXMWOZKMP-UHFFFAOYSA-N" ;
ns0:mass "263.37520" ;
ns0:monoisotopicmass "263.18853" ;
ns0:smiles "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1" ;
oboinowl_gen:hasDbXref "CAS:93413-62-8", "DrugBank:DB06700", "Drug_Central:4380", "HMDB:HMDB0015646", "KEGG:D07793", "PMID:24493333", "PMID:24502274", "PMID:24989434", "PMID:25086830", "PMID:25188033", "Reaxys:4234613", "Wikipedia:Desvenlafaxine" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol", "4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol", "desvenlafaxine" ;
oboinowl_gen:id "CHEBI:83527" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "O-desmethylvenlafaxine" ;
rdfs:subClassOf obo_purl:CHEBI_23480, obo_purl:CHEBI_33853, obo_purl:CHEBI_50996 ;
skos:notation "CHEBI:83527" .