compound 0107465

Properties Image MNX_ID MNXM1170525 reference envipathM:...a03d3fe4d210 formula C13H17N2O6 global charge -1 mol weight 297.287 InChIKey YCBBYZRPIMUAGK-UHFFFAOYSA-M InChI InChI=1S/C13H18N2O6/c1-8-9(2-3-10(17)13(8)21)14-11(18)6-15(4-5-16)7-12(19)20/h2-3,16-17,21H,4-7H2,1H3,(H,14,18)(H,19,20)/p-1 SMILES CC1=C(O)C(O)=CC=C1/N=C(\O)CN(CCO)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H18N2O6/c1-8-9(2-3-10(17)13(8)21)14-11(18)6-15(4-5-16)7-12(19)20/h2-3,16-17,21H,4-7H2,1H3,(H,14,18)(H,19,20) SMILES (mnx) [CH3:1][C:8]1=[C:9]([N:14]=[C:11]([CH2:6][N:15]([CH2:4][CH2:5][OH:16])[CH2:7][C:12](=[O:19])[OH:20])[OH:18])[CH:2]=[CH:3][C:10]([OH:17])=[C:13]1[OH:21]

Parent-child relations graph

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