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CHEBI:117320 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:117320
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC22H25NO8S
Net Charge0
Average Mass463.508
Monoisotopic Mass463.13009
SMILESCOC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4cccc(OC)c4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C22H25NO8S/c1-28-14-4-3-5-16(9-14)32(26,27)23-13-6-7-19-17(8-13)18-10-15(11-21(25)29-2)30-20(12-24)22(18)31-19/h3-9,15,18,20,22-24H,10-12H2,1-2H3/t15-,18-,20-,22+/m1/s1
InChIKeyXGRVZSSSNYUCOS-HBPKQZLHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:117320) is a sulfonamide (CHEBI:35358)
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