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CHEBI:102605 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:102605
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC16H21NO7S
Net Charge0
Average Mass371.411
Monoisotopic Mass371.10387
SMILESCOC(=O)C[C@H]1C[C@@H]2c3cc(NS(C)(=O)=O)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12-,14-,16+/m1/s1
InChIKeySTSQWNRYWIJNCW-AEKOTVAKSA-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]acetic acid methyl ester (CHEBI:102605) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
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