compound 0104191

Properties Image MNX_ID MNXM1191229 reference envipathM:...92dee258c4a7 formula C14H15N2O7 global charge -1 mol weight 323.281 InChIKey JUVFKBPWMGHFFO-UHFFFAOYSA-M InChI InChI=1S/C14H16N2O7/c1-8-13(9(7-18)4-10(19)14(8)23)15-11(20)5-16(2-3-17)6-12(21)22/h3-4,7,19,23H,2,5-6H2,1H3,(H,15,20)(H,21,22)/p-1 SMILES CC1=C(O)C(O)=CC(C=O)=C1/N=C(\O)CN(CC=O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H16N2O7/c1-8-13(9(7-18)4-10(19)14(8)23)15-11(20)5-16(2-3-17)6-12(21)22/h3-4,7,19,23H,2,5-6H2,1H3,(H,15,20)(H,21,22) SMILES (mnx) [CH3:1][C:8]1=[C:13]([N:15]=[C:11]([CH2:5][N:16]([CH2:2][CH:3]=[O:17])[CH2:6][C:12](=[O:21])[OH:22])[OH:20])[C:9]([CH:7]=[O:18])=[CH:4][C:10]([OH:19])=[C:14]1[OH:23]

Parent-child relations graph

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