N-vanillate-L-glutamate

Properties Image MNX_ID MNXM19747 reference metacycM:CPD-11845 formula C13H13NO7 global charge -2 mol weight 295.247 InChIKey NAZILJHSHDTNTQ-QMMMGPOBSA-L InChI InChI=1S/C13H15NO7/c1-21-10-6-7(2-4-9(10)15)12(18)14-8(13(19)20)3-5-11(16)17/h2,4,6,8,15H,3,5H2,1H3,(H,14,18)(H,16,17)(H,19,20)/p-2/t8-/m0/s1 SMILES COC1=CC(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])=CC=C1O MNX internals InChI (mnx) InChI=1/C13H15NO7/c1-21-10-6-7(2-4-9(10)15)12(18)14-8(13(19)20)3-5-11(16)17/h2,4,6,8,15H,3,5H2,1H3,(H,14,18)(H,16,17)(H,19,20)/t8-/m0/s1 SMILES (mnx) [CH3:1][O:21][C:10]1=[C:9]([OH:15])[CH:4]=[CH:2][C:7]([C:12](=[N:14][C@@H:8]([CH2:3][CH2:5][C:11](=[O:16])[OH:17])[C:13](=[O:19])[OH:20])[OH:18])=[CH:6]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0