CHEBI:98524 - methyl 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

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ChEBI Name methyl 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
ChEBI ID CHEBI:98524
Stars This entity has been manually annotated by a third party.
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Formula C16H21NO7S
Net Charge 0
Average Mass 371.407
Monoisotopic Mass 371.10387
InChI InChI=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
InChIKey STSQWNRYWIJNCW-HTWGDNNSSA-N
SMILES COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
ChEBI Ontology
Outgoing methyl 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate (CHEBI:98524) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-9903 LINCS
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