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CHEBI:98317 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:98317
ChEBI NameN-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
Stars
DownloadsMolfile
FormulaC24H23F3N2O7
Net Charge0
Average Mass508.449
Monoisotopic Mass508.14574
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C24H23F3N2O7/c25-24(26,27)10-28-21(31)8-14-7-16-15-6-13(2-4-17(15)36-22(16)20(9-30)35-14)29-23(32)12-1-3-18-19(5-12)34-11-33-18/h1-6,14,16,20,22,30H,7-11H2,(H,28,31)(H,29,32)/t14-,16-,20-,22+/m1/s1
InChIKeyIXBLMXNUAYKSQM-YKHKRFOZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:98317) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-9696LINCS