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CHEBI:117467 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:117467
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC22H24N2O6
Net Charge0
Average Mass412.442
Monoisotopic Mass412.16344
SMILESCOC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C22H24N2O6/c1-28-21(27)11-15-10-17-16-9-14(24-20(26)8-13-4-6-23-7-5-13)2-3-18(16)30-22(17)19(12-25)29-15/h2-7,9,15,17,19,22,25H,8,10-12H2,1H3,(H,24,26)/t15-,17-,19-,22+/m0/s1
InChIKeyWSHDHBDWIVSZGZ-MNNBHYOVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:117467) is a furopyran (CHEBI:74927)
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