N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:99037)

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CHEBI:99037 - N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:99037
ChEBI Name	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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Downloads	Molfile

Formula	C22H27F3N2O6
Net Charge	0
Average Mass	472.460
Monoisotopic Mass	472.18212
SMILES	O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F
InChI	InChI=1S/C22H27F3N2O6/c23-22(24,25)11-26-19(29)9-14-8-16-15-7-13(27-21(30)12-3-5-31-6-4-12)1-2-17(15)33-20(16)18(10-28)32-14/h1-2,7,12,14,16,18,20,28H,3-6,8-11H2,(H,26,29)(H,27,30)/t14-,16-,18+,20+/m1/s1
InChIKey	QSBPACLFOOFXHF-BIJSTVTOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:99037) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-10416	LINCS