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CHEBI:98400 - N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide

ChEBI IDCHEBI:98400
ChEBI NameN-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
Stars
DownloadsMolfile
FormulaC25H34N2O6
Net Charge0
Average Mass458.555
Monoisotopic Mass458.24169
SMILESO=C(Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2)C1CCOCC1
InChIInChI=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+/m0/s1
InChIKeySADUCKDCBXEUGG-UYLMIGBBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide (CHEBI:98400) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-9779LINCS