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CHEBI:100793 - 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:100793
ChEBI Name2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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DownloadsMolfile
FormulaC20H20FNO7S
Net Charge0
Average Mass437.445
Monoisotopic Mass437.09445
SMILESO=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18-,20+/m1/s1
InChIKeyBOKKRFULVUTARF-WGYMDGOUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:100793) is a sulfonamide (CHEBI:35358)
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