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CHEBI:110476 - N-[(1R,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:110476
ChEBI NameN-[(1R,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC24H26N2O7
Net Charge0
Average Mass454.479
Monoisotopic Mass454.17400
SMILESCN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C24H26N2O7/c1-26(2)22(28)10-15-9-17-16-8-14(4-6-18(16)33-23(17)21(11-27)32-15)25-24(29)13-3-5-19-20(7-13)31-12-30-19/h3-8,15,17,21,23,27H,9-12H2,1-2H3,(H,25,29)/t15-,17-,21+,23+/m0/s1
InChIKeyOYAAAFLFGWLAPV-SSTRHAATSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:110476) is a furopyran (CHEBI:74927)
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