compound 0106753

Properties Image MNX_ID MNXM1177433 reference envipathM:...a5285bde93a6 formula C13H18N2O6 global charge -2 mol weight 298.295 InChIKey DFNQIRAZKNJZNE-JEXVWMEKSA-L InChI InChI=1S/C13H20N2O6/c1-3-15(6-7-16)11(17)8-14-10(4-5-12(18)19)9(2)13(20)21/h4-5,8,11,16-17H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)/p-2/b5-4-,10-9+,14-8+ SMILES CCN(CCO)C(O)/C=N/C(/C=C\C(=O)[O-])=C(\C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20N2O6/c1-3-15(6-7-16)11(17)8-14-10(4-5-12(18)19)9(2)13(20)21/h4-5,8,11,16-17H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)/b5-4-,10-9+,14-8+/t11? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:6][CH2:7][OH:16])[CH:11](/[CH:8]=[N:14]/[C:10](/[CH:4]=[CH:5]\[C:12](=[O:18])[OH:19])=[C:9](\[CH3:2])[C:13](=[O:20])[OH:21])[OH:17]

Parent-child relations graph

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