2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:122836)

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CHEBI:122836 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide

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ChEBI ID	CHEBI:122836
ChEBI Name	2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
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Downloads	Molfile

Formula	C18H26N2O7S
Net Charge	0
Average Mass	414.480
Monoisotopic Mass	414.14607
SMILES	COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NS(C)(=O)=O)ccc3O[C@@H]2[C@@H](CO)O1
InChI	InChI=1S/C18H26N2O7S/c1-25-6-5-19-17(22)9-12-8-14-13-7-11(20-28(2,23)24)3-4-15(13)27-18(14)16(10-21)26-12/h3-4,7,12,14,16,18,20-21H,5-6,8-10H2,1-2H3,(H,19,22)/t12-,14+,16+,18-/m0/s1
InChIKey	NJJKNLQQLZQTIZ-VYOUMLOHSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide (CHEBI:122836) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-34279	LINCS