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CHEBI:123069 - 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

ChEBI IDCHEBI:123069
ChEBI Name2-[(1S,3R,4aS,9aR)-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-RKHKHNFPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester (CHEBI:123069) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-34512LINCS