N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:122903)

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CHEBI:122903 - N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:122903
ChEBI Name	N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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Formula	C22H30N2O6
Net Charge	0
Average Mass	418.490
Monoisotopic Mass	418.21039
SMILES	CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1
InChI	InChI=1S/C22H30N2O6/c1-24(2)20(26)11-15-10-17-16-9-14(23-22(27)13-5-7-28-8-6-13)3-4-18(16)30-21(17)19(12-25)29-15/h3-4,9,13,15,17,19,21,25H,5-8,10-12H2,1-2H3,(H,23,27)/t15-,17-,19+,21+/m1/s1
InChIKey	DXZPRIFIKXELJX-DOSUHQCWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:122903) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-34346	LINCS