EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:99261 - 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

ChEBI IDCHEBI:99261
ChEBI Name2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
Stars
DownloadsMolfile
FormulaC24H30N2O4
Net Charge0
Average Mass410.514
Monoisotopic Mass410.22056
SMILESCN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCc3ccccc3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22+,24+/m1/s1
InChIKeyVTJOJCWIVRUFJE-NROSNUSPSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:99261) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-10640LINCS