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CHEBI:126876 - 1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-phenylethanone

ChEBI IDCHEBI:126876
ChEBI Name1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-phenylethanone
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DownloadsMolfile
FormulaC25H28N2O4
Net Charge0
Average Mass420.509
Monoisotopic Mass420.20491
SMILESO=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O4/c28-16-22-24-19-8-4-5-9-20(19)26(25(30)18-10-12-31-13-11-18)15-21(24)27(22)23(29)14-17-6-2-1-3-7-17/h1-9,18,21-22,24,28H,10-16H2/t21-,22-,24+/m1/s1
InChIKeyQALVRHUHRKABFC-AKFKNWHVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-phenylethanone (CHEBI:126876) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-38439LINCS