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CHEBI:117490 - N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

ChEBI IDCHEBI:117490
ChEBI NameN-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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DownloadsMolfile
FormulaC22H30N2O6
Net Charge0
Average Mass418.490
Monoisotopic Mass418.21039
SMILESCOCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C22H30N2O6/c1-28-7-6-23-20(26)11-15-10-17-16-9-14(24-21(27)8-13-2-3-13)4-5-18(16)30-22(17)19(12-25)29-15/h4-5,9,13,15,17,19,22,25H,2-3,6-8,10-12H2,1H3,(H,23,26)(H,24,27)/t15-,17-,19-,22+/m1/s1
InChIKeyHRBYSLULMJVYNQ-AWGCWCAXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:117490) is a furopyran (CHEBI:74927)
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