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CHEBI:228751 - 2-(4-oxo-4H-chromen-3-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

ChEBI IDCHEBI:228751
ChEBI Name2-(4-oxo-4H-chromen-3-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H13NO3S
Net Charge0
Average Mass323.373
Monoisotopic Mass323.06161
SMILESO=C1CC(c2coc3ccccc3c2=O)Sc2ccccc2N1
InChIInChI=1S/C18H13NO3S/c20-17-9-16(23-15-8-4-2-6-13(15)19-17)12-10-22-14-7-3-1-5-11(14)18(12)21/h1-8,10,16H,9H2,(H,19,20)
InChIKeyFTHRKDBIRPGZNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-(4-oxo-4H-chromen-3-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CHEBI:228751) is a benzothiazepine (CHEBI:48684)
IUPAC Name 
2-(4-oxochromen-3-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Manual XrefsDatabases
2010631ChemSpider