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CHEBI:98194 - methyl 2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate

ChEBI IDCHEBI:98194
ChEBI Namemethyl 2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
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DownloadsMolfile
FormulaC19H26N2O6
Net Charge0
Average Mass378.425
Monoisotopic Mass378.17909
SMILESCOC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@@H](CO)O1
InChIInChI=1S/C19H26N2O6/c1-21(2)9-17(23)20-11-4-5-15-13(6-11)14-7-12(8-18(24)25-3)26-16(10-22)19(14)27-15/h4-6,12,14,16,19,22H,7-10H2,1-3H3,(H,20,23)/t12-,14+,16-,19-/m1/s1
InChIKeyIMIOHDVFACJXOK-MGPHVCOZSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate (CHEBI:98194) is a amino acid amide (CHEBI:22475)
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