2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117476)

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CHEBI:117476 - 2-[(1S,3R,4aS,9aR)-6-[[(2-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:117476
ChEBI Name	2-[(1S,3R,4aS,9aR)-6-[[(2-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)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1
InChI	InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-14-10-16-15-9-13(7-8-19(15)32-22(16)20(12-28)31-14)25-23(30)26-18-6-4-3-5-17(18)24/h3-9,14,16,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t14-,16+,20+,22-/m1/s1
InChIKey	IVKRNFCOUULTQI-BJKXHWDHSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:117476) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-28925	LINCS