5-Methyl-N-formylkynurenine

Properties Image MNX_ID MNXM819779 reference sabiorkM:31152 formula C12H14N2O4 global charge 0 mol weight 250.254 InChIKey VLXNPWPBOLYUNU-UHFFFAOYSA-N InChI InChI=1S/C12H14N2O4/c1-14(7-15)10-5-3-2-4-8(10)11(16)6-9(13)12(17)18/h2-5,7,9H,6,13H2,1H3,(H,17,18) SMILES CN(C=O)C1=CC=CC=C1C(=O)CC(N)C(=O)O MNX internals InChI (mnx) InChI=1/C12H14N2O4/c1-14(7-15)10-5-3-2-4-8(10)11(16)6-9(13)12(17)18/h2-5,7,9H,6,13H2,1H3,(H,17,18)/t9? SMILES (mnx) [CH3:1][N:14]([CH:7]=[O:15])[C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]1[C:11]([CH2:6][CH:9]([C:12](=[O:17])[OH:18])[NH2:13])=[O:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0