EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126588 - 2-[(3R,6aS,8S,10aS)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

ChEBI IDCHEBI:126588
ChEBI Name2-[(3R,6aS,8S,10aS)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Stars
DownloadsMolfile
FormulaC27H33FN2O4
Net Charge0
Average Mass468.569
Monoisotopic Mass468.24244
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(F)cc2)O1)N1CCc2ccccc2C1
InChIInChI=1S/C27H33FN2O4/c28-22-7-5-19(6-8-22)14-30-16-23(31)17-33-18-26-25(30)10-9-24(34-26)13-27(32)29-12-11-20-3-1-2-4-21(20)15-29/h1-8,23-26,31H,9-18H2/t23-,24+,25+,26-/m1/s1
InChIKeyKNZMNGHBCOUWJQ-KEVKATSASA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:126588) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-38152LINCS