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CHEBI:110523 - 2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:110523
ChEBI Name2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
Stars
DownloadsMolfile
FormulaC21H23NO7S
Net Charge0
Average Mass433.482
Monoisotopic Mass433.11952
SMILESCOC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C21H23NO7S/c1-27-20(24)11-14-10-17-16-9-13(22-30(25,26)15-5-3-2-4-6-15)7-8-18(16)29-21(17)19(12-23)28-14/h2-9,14,17,19,21-23H,10-12H2,1H3/t14-,17-,19+,21+/m0/s1
InChIKeyNPRGNJUPYHXXCW-QBGRRASTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:110523) is a sulfonamide (CHEBI:35358)
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