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CHEBI:122993 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

ChEBI IDCHEBI:122993
ChEBI NameN-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
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DownloadsMolfile
FormulaC23H27N3O6
Net Charge0
Average Mass441.484
Monoisotopic Mass441.18999
SMILESCOCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C23H27N3O6/c1-30-8-7-25-21(28)11-16-10-18-17-9-15(26-23(29)14-3-2-6-24-12-14)4-5-19(17)32-22(18)20(13-27)31-16/h2-6,9,12,16,18,20,22,27H,7-8,10-11,13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20-,22+/m1/s1
InChIKeyIZHKYGZZVSGRFT-ZLLBNUPZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:122993) is a furopyran (CHEBI:74927)
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