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CHEBI:127676 - 1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone

ChEBI IDCHEBI:127676
ChEBI Name1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
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DownloadsMolfile
FormulaC21H24N2O4S
Net Charge0
Average Mass400.500
Monoisotopic Mass400.14568
SMILESCCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@H]21
InChIInChI=1S/C21H24N2O4S/c1-3-20(25)23-17-12-22(28(26,27)19-11-7-4-8-14(19)2)16-10-6-5-9-15(16)21(17)18(23)13-24/h4-11,17-18,21,24H,3,12-13H2,1-2H3/t17-,18-,21+/m1/s1
InChIKeyJZJDAFMFJLEAEU-OPYAIIAOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone (CHEBI:127676) is a quinolines (CHEBI:26513)
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LSM-39233LINCS