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CHEBI:122171 - 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester

ChEBI IDCHEBI:122171
ChEBI Name3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC21H24N2O5S
Net Charge0
Average Mass416.499
Monoisotopic Mass416.14059
SMILESCOCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c1C
InChIInChI=1S/C21H24N2O5S/c1-12-7-16(14(3)23(12)13(2)9-27-4)18(24)10-28-21(26)15-5-6-19-17(8-15)22-20(25)11-29-19/h5-8,13H,9-11H2,1-4H3,(H,22,25)
InChIKeySUFFQJSFEGGTBK-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester (CHEBI:122171) is a benzothiazine (CHEBI:46899)
Manual XrefsDatabases
LSM-33614LINCS