compound 0229336

Properties Image MNX_ID MNXM1194278 reference envipathM:...92fe8d5d4f7d formula C12H14N2O8 global charge -2 mol weight 314.25 InChIKey QUYNMEFPHVXQSG-CLTKARDFSA-L InChI InChI=1S/C12H16N2O8/c1-5(16)14-8(17)2-6(4-15)7(3-9(18)19)10(13)11(20)12(21)22/h3-4,6,8,10,17H,2,13H2,1H3,(H,14,16)(H,18,19)(H,21,22)/p-2/b7-3- SMILES CC(=O)NC(O)CC(C=O)/C(=C/C(=O)[O-])C(N)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H16N2O8/c1-5(16)14-8(17)2-6(4-15)7(3-9(18)19)10(13)11(20)12(21)22/h3-4,6,8,10,17H,2,13H2,1H3,(H,14,16)(H,18,19)(H,21,22)/b7-3-/t6?,8?,10? SMILES (mnx) [CH3:1][C:5](=[N:14][CH:8]([CH2:2][CH:6]([CH:4]=[O:15])/[C:7](=[CH:3]/[C:9](=[O:18])[OH:19])[CH:10]([C:11]([C:12]([OH:21])=[O:22])=[O:20])[NH2:13])[OH:17])[OH:16]

Parent-child relations graph

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