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CHEBI:98836 - 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide

ChEBI IDCHEBI:98836
ChEBI Name2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
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DownloadsMolfile
FormulaC22H32N2O4
Net Charge0
Average Mass388.508
Monoisotopic Mass388.23621
SMILESCN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C22H32N2O4/c1-24(2)15-8-9-19-17(10-15)18-11-16(27-20(13-25)22(18)28-19)12-21(26)23-14-6-4-3-5-7-14/h8-10,14,16,18,20,22,25H,3-7,11-13H2,1-2H3,(H,23,26)/t16-,18-,20-,22+/m0/s1
InChIKeyFNFGUCPTYHKNGE-JXYHXMIBSA-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-cyclohexylacetamide (CHEBI:98836) is a furopyran (CHEBI:74927)
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