compound 0106538

Properties Image MNX_ID MNXM1138827 reference envipathM:...391093537622 formula C14H16N2O7 global charge -2 mol weight 324.289 InChIKey XBPMDVFQBYHHKJ-PJQLUOCWSA-L InChI InChI=1S/C14H18N2O7/c1-3-16(6-11(19)20)10(18)5-15-12-7(2)13(21)9(17)4-8(12)14(22)23/h4-5,10,17-18,21H,3,6H2,1-2H3,(H,19,20)(H,22,23)/p-2/b15-5+ SMILES CCN(CC(=O)[O-])C(O)/C=N/C1=C(C(=O)[O-])C=C(O)C(O)=C1C MNX internals InChI (mnx) InChI=1/C14H18N2O7/c1-3-16(6-11(19)20)10(18)5-15-12-7(2)13(21)9(17)4-8(12)14(22)23/h4-5,10,17-18,21H,3,6H2,1-2H3,(H,19,20)(H,22,23)/b15-5+/t10? SMILES (mnx) [CH3:1][CH2:3][N:16]([CH2:6][C:11](=[O:19])[OH:20])[CH:10](/[CH:5]=[N:15]/[C:12]1=[C:7]([CH3:2])[C:13]([OH:21])=[C:9]([OH:17])[CH:4]=[C:8]1[C:14](=[O:22])[OH:23])[OH:18]

Parent-child relations graph

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