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CHEBI:117351 - 2-[(1R,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-phenylethyl)acetamide

ChEBI IDCHEBI:117351
ChEBI Name2-[(1R,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-phenylethyl)acetamide
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DownloadsMolfile
FormulaC25H30N2O6
Net Charge0
Average Mass454.523
Monoisotopic Mass454.21039
SMILESCOCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCCc3ccccc3)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C25H30N2O6/c1-31-15-24(30)27-17-7-8-21-19(11-17)20-12-18(32-22(14-28)25(20)33-21)13-23(29)26-10-9-16-5-3-2-4-6-16/h2-8,11,18,20,22,25,28H,9-10,12-15H2,1H3,(H,26,29)(H,27,30)/t18-,20-,22+,25+/m0/s1
InChIKeyCMSFJVGZZAIMOJ-FZIATNMDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,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-phenylethyl)acetamide (CHEBI:117351) is a furopyran (CHEBI:74927)
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