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CHEBI:100126 - 2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

ChEBI IDCHEBI:100126
ChEBI Name2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
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DownloadsMolfile
FormulaC24H30N2O4
Net Charge0
Average Mass410.514
Monoisotopic Mass410.22056
SMILESC[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20-,22+,24+/m0/s1
InChIKeyLSNSUZUVRXFZLV-HYJVDKBFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:100126) is a furopyran (CHEBI:74927)
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