compound 0109125

Properties Image MNX_ID MNXM1178636 reference envipathM:...ebbc4953aff4 formula C14H16N2O7 global charge -2 mol weight 324.289 InChIKey IZMYIKJJAUZNTL-UHFFFAOYSA-L InChI InChI=1S/C14H18N2O7/c1-2-16(11(19)7-17)6-10(18)15-12-8(13(20)21)4-3-5-9(12)14(22)23/h3-5,11,17,19H,2,6-7H2,1H3,(H,15,18)(H,20,21)(H,22,23)/p-2 SMILES CCN(C/C(O)=N/C1=C(C(=O)[O-])C=CC=C1C(=O)[O-])C(O)CO MNX internals InChI (mnx) InChI=1/C14H18N2O7/c1-2-16(11(19)7-17)6-10(18)15-12-8(13(20)21)4-3-5-9(12)14(22)23/h3-5,11,17,19H,2,6-7H2,1H3,(H,15,18)(H,20,21)(H,22,23)/t11? SMILES (mnx) [CH3:1][CH2:2][N:16]([CH2:6][C:10](=[N:15][C:12]1=[C:8]([C:13](=[O:20])[OH:21])[CH:4]=[CH:3][CH:5]=[C:9]1[C:14](=[O:22])[OH:23])[OH:18])[CH:11]([CH2:7][OH:17])[OH:19]

Parent-child relations graph

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