compound 0107773

Properties Image MNX_ID MNXM1184299 reference envipathM:...07af62f5b7f0 formula C13H18N2O8 global charge -2 mol weight 330.293 InChIKey HNBWVKOJLHGANC-OVUQHKJWSA-L InChI InChI=1S/C13H20N2O8/c1-3-8(7(2)10(18)12(20)21)14-6-9(17)15(4-5-16)11(19)13(22)23/h3,6-7,9,11,16-17,19H,4-5H2,1-2H3,(H,20,21)(H,22,23)/p-2/b8-3-,14-6+ SMILES C/C=C(\N=C\C(O)N(CCO)C(O)C(=O)[O-])C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20N2O8/c1-3-8(7(2)10(18)12(20)21)14-6-9(17)15(4-5-16)11(19)13(22)23/h3,6-7,9,11,16-17,19H,4-5H2,1-2H3,(H,20,21)(H,22,23)/b8-3-,14-6+/t7?,9?,11? SMILES (mnx) [CH3:1]/[CH:3]=[C:8]([CH:7]([CH3:2])[C:10]([C:12]([OH:20])=[O:21])=[O:18])\[N:14]=[CH:6]\[CH:9]([N:15]([CH2:4][CH2:5][OH:16])[CH:11]([C:13](=[O:22])[OH:23])[OH:19])[OH:17]

Parent-child relations graph

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