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CHEBI:101029 - 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

ChEBI IDCHEBI:101029
ChEBI Name2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
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DownloadsMolfile
FormulaC24H30N2O4
Net Charge0
Average Mass410.514
Monoisotopic Mass410.22056
SMILESCN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCCc3ccccc3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22-,24+/m0/s1
InChIKeyVTJOJCWIVRUFJE-UYLMIGBBSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:101029) is a furopyran (CHEBI:74927)
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