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CHEBI:228435 - 7-phenyl-6a,7-dihydro-6H-benzo[b]chromeno[4,3-e][1,4]thiazepine

ChEBI IDCHEBI:228435
ChEBI Name7-phenyl-6a,7-dihydro-6H-benzo[b]chromeno[4,3-e][1,4]thiazepine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H17NOS
Net Charge0
Average Mass343.451
Monoisotopic Mass343.10309
SMILESc1ccc(C2Sc3ccccc3N=C3c4ccccc4OCC32)cc1
InChIInChI=1S/C22H17NOS/c1-2-8-15(9-3-1)22-17-14-24-19-12-6-4-10-16(19)21(17)23-18-11-5-7-13-20(18)25-22/h1-13,17,22H,14H2
InChIKeyXFVZHFLPHLUWLZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
7-phenyl-6a,7-dihydro-6H-benzo[b]chromeno[4,3-e][1,4]thiazepine (CHEBI:228435) is a benzothiazepine (CHEBI:48684)
IUPAC Name 
7-phenyl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine
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