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CHEBI:130333 - 1-[(1S,2aR,8bR)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone

ChEBI IDCHEBI:130333
ChEBI Name1-[(1S,2aR,8bR)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
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DownloadsMolfile
FormulaC24H24N2O5
Net Charge0
Average Mass420.465
Monoisotopic Mass420.16852
SMILESO=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1
InChIInChI=1S/C24H24N2O5/c27-12-19-23-16-3-1-2-4-17(16)25(11-18(23)26(19)22(28)9-14-5-6-14)24(29)15-7-8-20-21(10-15)31-13-30-20/h1-4,7-8,10,14,18-19,23,27H,5-6,9,11-13H2/t18-,19+,23+/m0/s1
InChIKeyJXUIDYBNAPLZHZ-YCRNBWNJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1S,2aR,8bR)-4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone (CHEBI:130333) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-41882LINCS