3-Hydroxy-2-oxindole-3-acetyl-aspartic acid

Properties Image MNX_ID MNXM10008 reference chebi:192275 formula C14H12N2O7 global charge -2 mol weight 320.257 InChIKey QMZGZQXNSUNJEY-CUVJYRNJSA-L InChI InChI=1S/C14H14N2O7/c17-10(15-9(12(20)21)5-11(18)19)6-14(23)7-3-1-2-4-8(7)16-13(14)22/h1-4,9,23H,5-6H2,(H,15,17)(H,16,22)(H,18,19)(H,20,21)/p-2/t9-,14?/m0/s1 SMILES O=C([O-])C[C@H](NC(=O)CC1(O)C(=O)NC2=C1C=CC=C2)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H14N2O7/c17-10(15-9(12(20)21)5-11(18)19)6-14(23)7-3-1-2-4-8(7)16-13(14)22/h1-4,9,23H,5-6H2,(H,15,17)(H,16,22)(H,18,19)(H,20,21)/t9-,14?/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[C:14]([CH2:6][C:10](=[N:15][C@@H:9]([CH2:5][C:11](=[O:18])[OH:19])[C:12](=[O:20])[OH:21])[OH:17])([OH:23])[C:13]([OH:22])=[N:16]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0