EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:121555 - (3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

ChEBI IDCHEBI:121555
ChEBI Name(3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one
Stars
DownloadsMolfile
FormulaC30H28FNO2
Net Charge0
Average Mass453.557
Monoisotopic Mass453.21041
SMILESCC(=O)c1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1
InChIInChI=1S/C30H28FNO2/c1-20(33)22-11-13-23(14-12-22)24-15-16-25(27(31)18-24)28-26-10-6-7-17-30(26,2)29(34)32(28)19-21-8-4-3-5-9-21/h3-6,8-16,18,26,28H,7,17,19H2,1-2H3/t26-,28-,30+/m0/s1
InChIKeyCBSFIPZNVMHQDA-BTIIJPOSSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one (CHEBI:121555) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-32998LINCS