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CHEBI:100254 - 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

ChEBI IDCHEBI:100254
ChEBI Name2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
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DownloadsMolfile
FormulaC20H28N2O4
Net Charge0
Average Mass360.454
Monoisotopic Mass360.20491
SMILESCN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18-,20+/m0/s1
InChIKeyJLJMCVQNTFDIRA-PFSLXQJOSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:100254) is a furopyran (CHEBI:74927)
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