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CHEBI:110347 - 2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:110347
ChEBI Name2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
Stars
DownloadsMolfile
FormulaC20H21NO7S
Net Charge0
Average Mass419.455
Monoisotopic Mass419.10387
SMILESO=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C20H21NO7S/c22-11-18-20-16(9-13(27-18)10-19(23)24)15-8-12(6-7-17(15)28-20)21-29(25,26)14-4-2-1-3-5-14/h1-8,13,16,18,20-22H,9-11H2,(H,23,24)/t13-,16-,18-,20+/m1/s1
InChIKeyYMVYEFVBAYOYFR-WGYMDGOUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:110347) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-21796LINCS