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CHEBI:101970 - 2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

ChEBI IDCHEBI:101970
ChEBI Name2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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DownloadsMolfile
FormulaC24H28N2O6
Net Charge0
Average Mass440.496
Monoisotopic Mass440.19474
SMILESCN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18+,22-,24-/m0/s1
InChIKeyXORJDKZTELKQNH-YDGOEMPPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:101970) is a furopyran (CHEBI:74927)
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