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CHEBI:128412 - [(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone

ChEBI IDCHEBI:128412
ChEBI Name[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
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FormulaC26H23FN2O4
Net Charge0
Average Mass446.478
Monoisotopic Mass446.16419
SMILESCOc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C26H23FN2O4/c1-33-19-6-4-5-17(13-19)25(31)28-14-22-24(20-7-2-3-8-21(20)28)23(15-30)29(22)26(32)16-9-11-18(27)12-10-16/h2-13,22-24,30H,14-15H2,1H3/t22-,23-,24+/m1/s1
InChIKeyDMZOAGGJCGYILZ-SMIHKQSGSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone (CHEBI:128412) is a quinolines (CHEBI:26513)
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