<?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_83527"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50996"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23480"/> <rdfs:label>O-desmethylvenlafaxine</rdfs:label> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C16H25NO2</obo_purl:chebi/formula> <obo_purl:chebi/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</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>KYYIDSXMWOZKMP-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>263.37520</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>263.18853</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1</obo_purl:chebi/smiles> <metadata_def:prefLabel>O-desmethylvenlafaxine</metadata_def:prefLabel> <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:IAO_0000115> <oboinowl_gen:hasRelatedSynonym>4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>desvenlafaxine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>odesmethylvenlafaxine</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_83527"/> <oboinowl_gen:hasDbXref>CAS:93413-62-8</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>DrugBank:DB06700</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:4380</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0015646</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D07793</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24493333</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24502274</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24989434</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25086830</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25188033</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:4234613</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Desvenlafaxine</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:83527</oboinowl_gen:id> <skos:notation>CHEBI:83527</skos:notation> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33853"/> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50996"/> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23480"/> <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_83399"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35469"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_49103"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_83527"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_83527"/> </rdf:Description> </rdf:RDF>