compound 0102206

Properties Image MNX_ID MNXM1189631 reference envipathM:...bdc1d0a42cce formula C12H17N2O7 global charge -1 mol weight 301.275 InChIKey QKTMRFOSGFSNDE-QPJJXVBHSA-M InChI InChI=1S/C12H18N2O7/c1-3-14(9(17)6-15)5-8(16)13-4-7(2)10(18)11(19)12(20)21/h4,6,9-10,17-18H,3,5H2,1-2H3,(H,13,16)(H,20,21)/p-1/b7-4+ SMILES CCN(C/C(O)=N/C=C(\C)C(O)C(=O)C(=O)[O-])C(O)C=O MNX internals InChI (mnx) InChI=1/C12H18N2O7/c1-3-14(9(17)6-15)5-8(16)13-4-7(2)10(18)11(19)12(20)21/h4,6,9-10,17-18H,3,5H2,1-2H3,(H,13,16)(H,20,21)/b7-4+/t9?,10? SMILES (mnx) [CH3:1][CH2:3][N:14]([CH2:5]/[C:8](=[N:13]/[CH:4]=[C:7](\[CH3:2])[CH:10]([C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:18])[OH:16])[CH:9]([CH:6]=[O:15])[OH:17]

Parent-child relations graph

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