EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99689 - (2R,3R,3aS,9bS)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid

ChEBI IDCHEBI:99689
ChEBI Name(2R,3R,3aS,9bS)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
Stars
DownloadsMolfile
FormulaC25H23FN2O4
Net Charge0
Average Mass434.467
Monoisotopic Mass434.16419
SMILESO=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccc1F
InChIInChI=1S/C25H23FN2O4/c26-20-9-5-4-8-16(20)12-28-22-18(19(14-29)23(28)25(31)32)13-27-21(22)11-10-17(24(27)30)15-6-2-1-3-7-15/h1-11,18-19,22-23,29H,12-14H2,(H,31,32)/t18-,19-,22+,23-/m1/s1
InChIKeyCTVHZJUSZJAUDM-PJIZGREPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:99689) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-11068LINCS