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CHEBI:228580 - 4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-fluoro-4-thiochromanol

ChEBI IDCHEBI:228580
ChEBI Name4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-fluoro-4-thiochromanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20FNOS
Net Charge0
Average Mass353.462
Monoisotopic Mass353.12496
SMILESCc1ccc(C)n1-c1ccc(C2(O)CCSc3ccc(F)cc32)cc1
InChIInChI=1S/C21H20FNOS/c1-14-3-4-15(2)23(14)18-8-5-16(6-9-18)21(24)11-12-25-20-10-7-17(22)13-19(20)21/h3-10,13,24H,11-12H2,1-2H3
InChIKeyWZRUBVQSCKQUBT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-6-fluoro-4-thiochromanol (CHEBI:228580) is a pyrroles (CHEBI:26455)
IUPAC Name 
4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-luoro-2,3-dihydrothiochromen-4-ol
Manual XrefsDatabases
2088661ChemSpider