compound 0110226

Properties Image MNX_ID MNXM1181811 reference envipathM:...c326fac63a57 formula C13H19N2O9 global charge -1 mol weight 347.3 InChIKey RIMDWPVDCZZSFP-UHFFFAOYSA-M InChI InChI=1S/C13H20N2O9/c1-8(19)13(24,9(7-18)11(21)12(22)23)14-10(20)6-15(2-4-16)3-5-17/h4,7-9,17,19,24H,2-3,5-6H2,1H3,(H,14,20)(H,22,23)/p-1 SMILES CC(O)C(O)(/N=C(\O)CN(CC=O)CCO)C(C=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20N2O9/c1-8(19)13(24,9(7-18)11(21)12(22)23)14-10(20)6-15(2-4-16)3-5-17/h4,7-9,17,19,24H,2-3,5-6H2,1H3,(H,14,20)(H,22,23)/t8?,9?,13? SMILES (mnx) [CH3:1][CH:8]([C:13]([CH:9]([CH:7]=[O:18])[C:11]([C:12]([OH:22])=[O:23])=[O:21])([N:14]=[C:10]([CH2:6][N:15]([CH2:2][CH:4]=[O:16])[CH2:3][CH2:5][OH:17])[OH:20])[OH:24])[OH:19]

Parent-child relations graph

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