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CHEBI:102725 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:102725
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC24H27FN2O6
Net Charge0
Average Mass458.486
Monoisotopic Mass458.18531
SMILESCOCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3F)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,21-,24+/m0/s1
InChIKeyQLCUJBUUXYDXPU-QFEHNZAHSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:102725) is a furopyran (CHEBI:74927)
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