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CHEBI:110464 - 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

ChEBI IDCHEBI:110464
ChEBI Name2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
Stars
DownloadsMolfile
FormulaC18H26N2O6S
Net Charge0
Average Mass398.481
Monoisotopic Mass398.15116
SMILESCCCNC(=O)C[C@@H]1C[C@H]2c3cc(NS(C)(=O)=O)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C18H26N2O6S/c1-3-6-19-17(22)9-12-8-14-13-7-11(20-27(2,23)24)4-5-15(13)26-18(14)16(10-21)25-12/h4-5,7,12,14,16,18,20-21H,3,6,8-10H2,1-2H3,(H,19,22)/t12-,14-,16+,18+/m0/s1
InChIKeyXIBRYEMUGCVBEH-BMGTVUPLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:110464) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-21911LINCS