N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:102012)

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CHEBI:102012 - N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide

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ChEBI ID	CHEBI:102012
ChEBI Name	N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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Downloads	Molfile

Formula	C25H34N2O6
Net Charge	0
Average Mass	458.555
Monoisotopic Mass	458.24169
SMILES	O=C(Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)C1CCOCC1
InChI	InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22+,24-/m1/s1
InChIKey	SADUCKDCBXEUGG-HJBWUJCXSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide (CHEBI:102012) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-13373	LINCS