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CHEBI:117277 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

ChEBI IDCHEBI:117277
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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DownloadsMolfile
FormulaC17H24N2O6S
Net Charge0
Average Mass384.454
Monoisotopic Mass384.13551
SMILESCN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NS(C)(=O)=O)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C17H24N2O6S/c1-19(2)16(21)8-11-7-13-12-6-10(18-26(3,22)23)4-5-14(12)25-17(13)15(9-20)24-11/h4-6,11,13,15,17-18,20H,7-9H2,1-3H3/t11-,13-,15-,17+/m0/s1
InChIKeyILXKPNUBZXTBRO-MOWSHJCCSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117277) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-28726LINCS