compound 0227785

Properties Image MNX_ID MNXM1198578 reference envipathM:...b41de12a82c8 formula C12H16N2O7 global charge -2 mol weight 300.267 InChIKey FYCGGMASWVPRQA-KHPPLWFESA-L InChI InChI=1S/C12H18N2O7/c1-5(15)14-8(16)2-6-4-13-10(11(19)12(20)21)7(6)3-9(17)18/h6-8,13,16,19H,2-4H2,1H3,(H,14,15)(H,17,18)(H,20,21)/p-2/b11-10- SMILES CC(=O)NC(O)CC1CN/C(=C(\O)C(=O)[O-])C1CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O7/c1-5(15)14-8(16)2-6-4-13-10(11(19)12(20)21)7(6)3-9(17)18/h6-8,13,16,19H,2-4H2,1H3,(H,14,15)(H,17,18)(H,20,21)/b11-10-/t6?,7?,8? SMILES (mnx) [CH3:1][C:5](=[N:14][CH:8]([CH2:2][CH:6]1[CH2:4][NH:13]/[C:10](=[C:11](/[C:12](=[O:20])[OH:21])[OH:19])[CH:7]1[CH2:3][C:9](=[O:17])[OH:18])[OH:16])[OH:15]

Parent-child relations graph

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