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CHEBI:185603 - R-95913

ChEBI IDCHEBI:185603
ChEBI NameR-95913
Stars
Last Modified17 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18FNO2S
Net Charge0
Average Mass331.412
Monoisotopic Mass331.10423
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCc2sc(O)cc2C1
InChIInChI=1S/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,9,11,17,21H,5-8,10H2
InChIKeyMPLQNQUWLWGOET-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
R-95913 (CHEBI:185603) is a thienopyridine (CHEBI:37942)
IUPAC Name 
1-cyclopropyl-2-(2-fluorophenyl)-2-(2-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
Manual XrefsDatabases
HMDB0013930HMDB
14228027ChemSpider