EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100504 - (2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:100504
ChEBI Name(2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one
Stars
DownloadsMolfile
FormulaC27H26FN3O3
Net Charge0
Average Mass459.521
Monoisotopic Mass459.19582
SMILESO=C([C@@H]1N[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@H]1CO)N1CCc2ccccc2C1
InChIInChI=1S/C27H26FN3O3/c28-22-8-4-3-7-18(22)19-9-10-23-24-20(14-31(23)26(19)33)21(15-32)25(29-24)27(34)30-12-11-16-5-1-2-6-17(16)13-30/h1-10,20-21,24-25,29,32H,11-15H2/t20-,21-,24+,25-/m1/s1
InChIKeyFZFLVCQZKXFTSN-KZKYLIHBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one (CHEBI:100504) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-11878LINCS