EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:123047 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

ChEBI IDCHEBI:123047
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
Stars
DownloadsMolfile
FormulaC18H26N2O7S
Net Charge0
Average Mass414.480
Monoisotopic Mass414.14607
SMILESCOCCNC(=O)C[C@H]1C[C@@H]2c3cc(NS(C)(=O)=O)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C18H26N2O7S/c1-25-6-5-19-17(22)9-12-8-14-13-7-11(20-28(2,23)24)3-4-15(13)27-18(14)16(10-21)26-12/h3-4,7,12,14,16,18,20-21H,5-6,8-10H2,1-2H3,(H,19,22)/t12-,14-,16-,18+/m1/s1
InChIKeyNJJKNLQQLZQTIZ-BQUDOFGOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:123047) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-34490LINCS