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CHEBI:98535 - methyl 2-[(1S,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

ChEBI IDCHEBI:98535
ChEBI Namemethyl 2-[(1S,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
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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+/m1/s1
InChIKeyHFIMGBHSBJMCIP-ZTVUFDKISA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-[(1S,3R,4aR,9aS)-6-(1,3-benzodioxole-5-carbonylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate (CHEBI:98535) is a furopyran (CHEBI:74927)
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