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CHEBI:110518 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

ChEBI IDCHEBI:110518
ChEBI Name2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
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DownloadsMolfile
FormulaC23H27N3O5
Net Charge0
Average Mass425.485
Monoisotopic Mass425.19507
SMILESCN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C23H27N3O5/c1-26(2)22(29)12-16-11-18-17-10-15(25-21(28)9-14-5-7-24-8-6-14)3-4-19(17)31-23(18)20(13-27)30-16/h3-8,10,16,18,20,23,27H,9,11-13H2,1-2H3,(H,25,28)/t16-,18+,20-,23-/m0/s1
InChIKeyMTNZWEPDKOJLIY-IRLNJFMJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:110518) is a furopyran (CHEBI:74927)
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