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CHEBI:101613 - 2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:101613
ChEBI Name2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC23H23NO8
Net Charge0
Average Mass441.436
Monoisotopic Mass441.14237
SMILESCOC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20-,22-/m0/s1
InChIKeyHFIMGBHSBJMCIP-NEDPJEHSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:101613) is a furopyran (CHEBI:74927)
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