compound 0109062

Properties Image MNX_ID MNXM1193968 reference envipathM:...254620ff02bb formula C12H15N2O8 global charge -3 mol weight 315.258 InChIKey FNBZUZUIVYFROX-UHFFFAOYSA-K InChI InChI=1S/C12H18N2O8/c1-2-14(6-10(17)18)5-9(16)13-4-7(11(19)20)3-8(15)12(21)22/h7H,2-6H2,1H3,(H,13,16)(H,17,18)(H,19,20)(H,21,22)/p-3 SMILES CCN(CC(=O)[O-])C/C(O)=N/CC(CC(=O)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O8/c1-2-14(6-10(17)18)5-9(16)13-4-7(11(19)20)3-8(15)12(21)22/h7H,2-6H2,1H3,(H,13,16)(H,17,18)(H,19,20)(H,21,22)/t7? SMILES (mnx) [CH3:1][CH2:2][N:14]([CH2:5][C:9](=[N:13][CH2:4][CH:7]([CH2:3][C:8]([C:12]([OH:21])=[O:22])=[O:15])[C:11](=[O:19])[OH:20])[OH:16])[CH2:6][C:10](=[O:17])[OH:18]

Parent-child relations graph

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