N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:101783)

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CHEBI:101783 - N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

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ChEBI ID	CHEBI:101783
ChEBI Name	N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
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Formula	C22H25N3O5
Net Charge	0
Average Mass	411.458
Monoisotopic Mass	411.17942
SMILES	CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1
InChI	InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17+,19-,21-/m0/s1
InChIKey	IUZUJTQXZTXMFN-MRCYXTNMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:101783) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-13145	LINCS