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CHEBI:122900 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:122900
ChEBI Name2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC21H22N2O6
Net Charge0
Average Mass398.415
Monoisotopic Mass398.14779
SMILESCOC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C21H22N2O6/c1-27-19(25)9-14-8-16-15-7-13(23-21(26)12-3-2-6-22-10-12)4-5-17(15)29-20(16)18(11-24)28-14/h2-7,10,14,16,18,20,24H,8-9,11H2,1H3,(H,23,26)/t14-,16-,18-,20+/m0/s1
InChIKeyRMTKIWQMYKPUOR-PFSLXQJOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:122900) is a furopyran (CHEBI:74927)
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