2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:100175)

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CHEBI:100175 - 2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI ID	CHEBI:100175
ChEBI Name	2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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Downloads	Molfile

Formula	C23H26FN3O5
Net Charge	0
Average Mass	443.475
Monoisotopic Mass	443.18565
SMILES	CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1
InChI	InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18+,20+,22-/m1/s1
InChIKey	HTNOASUNFPMBNX-DCZASFAJSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:100175) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-11552	LINCS