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CHEBI:123018 - 2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:123018
ChEBI Name2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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DownloadsMolfile
FormulaC17H23NO5
Net Charge0
Average Mass321.373
Monoisotopic Mass321.15762
SMILESCOC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1
InChIInChI=1S/C17H23NO5/c1-18(2)10-4-5-14-12(6-10)13-7-11(8-16(20)21-3)22-15(9-19)17(13)23-14/h4-6,11,13,15,17,19H,7-9H2,1-3H3/t11-,13-,15-,17+/m1/s1
InChIKeyLRUFLDYNMXBWAO-MDRZDLKXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:123018) is a furopyran (CHEBI:74927)
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