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CHEBI:116732 - (3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

ChEBI IDCHEBI:116732
ChEBI Name(3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
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DownloadsMolfile
FormulaC30H28FNO2
Net Charge0
Average Mass453.557
Monoisotopic Mass453.21041
SMILESCC(=O)c1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1
InChIInChI=1S/C30H28FNO2/c1-19-7-6-10-25-28(19)30(34)32(18-21-8-4-3-5-9-21)29(25)24-15-16-27(31)26(17-24)23-13-11-22(12-14-23)20(2)33/h3-6,8-17,19,25,28-29H,7,18H2,1-2H3/t19-,25+,28+,29+/m1/s1
InChIKeyDNDVOBNXWAHKHM-WFGXUNSGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one (CHEBI:116732) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-28185LINCS