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CHEBI:101452 - 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-(1,3-benzodioxol-5-ylmethyl)acetamide

ChEBI IDCHEBI:101452
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-(1,3-benzodioxol-5-ylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC25H28N2O8
Net Charge0
Average Mass484.505
Monoisotopic Mass484.18457
SMILESCOCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22-,25+/m0/s1
InChIKeyZGEAGHWTKPKCOK-ZRIJYVCPSA-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-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:101452) is a furopyran (CHEBI:74927)
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