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CHEBI:97456 - 2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

ChEBI IDCHEBI:97456
ChEBI Name2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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+/m1/s1
InChIKeyXORJDKZTELKQNH-MJHBTERZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:97456) is a furopyran (CHEBI:74927)
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