compound 0226077

Properties Image MNX_ID MNXM1184778 reference envipathM:...ad923b40e97a formula C13H11NO6 global charge -2 mol weight 277.232 InChIKey VAZDUKZDBNBLBY-UHFFFAOYSA-L InChI InChI=1S/C13H13NO6/c1-6(15)14-8-2-3-9-7(4-8)5-10(11(16)17)13(9,20)12(18)19/h2-4,10,20H,5H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p-2 SMILES CC(=O)NC1=CC=C2C(=C1)CC(C(=O)[O-])C2(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H13NO6/c1-6(15)14-8-2-3-9-7(4-8)5-10(11(16)17)13(9,20)12(18)19/h2-4,10,20H,5H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t10?,13? SMILES (mnx) [CH3:1][C:6](=[N:14][C:8]1=[CH:4][C:7]2=[C:9]([CH:3]=[CH:2]1)[C:13]([C:12](=[O:18])[OH:19])([OH:20])[CH:10]([C:11](=[O:16])[OH:17])[CH2:5]2)[OH:15]

Parent-child relations graph

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