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CHEBI:228563 - 6-(2-furyl)-2-hydroxy-4-(methylthio)nicotinonitrile

ChEBI IDCHEBI:228563
ChEBI Name6-(2-furyl)-2-hydroxy-4-(methylthio)nicotinonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H8N2O2S
Net Charge0
Average Mass232.264
Monoisotopic Mass232.03065
SMILESCSc1cc(-c2ccco2)nc(=O)c1C#N
InChIInChI=1S/C11H8N2O2S/c1-16-10-5-8(9-3-2-4-15-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14)
InChIKeyUDZOHIGKGRQLHH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
6-(2-furyl)-2-hydroxy-4-(methylthio)nicotinonitrile (CHEBI:228563) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
6-(uran-2-yl)-4-methylsulanyl-2-oxo-1H-pyridine-3-carbonitrile
Manual XrefsDatabases
2024989ChemSpider