compound 0227985

Properties Image MNX_ID MNXM1170845 reference envipathM:...b33bd592c673 formula C12H16N2O9 global charge -2 mol weight 332.265 InChIKey KIRIBOKHYMFXCQ-UQCOIBPSSA-L InChI InChI=1S/C12H18N2O9/c1-5(16)14-3-8(17)6(4-15)7(2-9(18)19)12(13,23)10(20)11(21)22/h2,4,6,8,10,17,20,23H,3,13H2,1H3,(H,14,16)(H,18,19)(H,21,22)/p-2/b7-2- SMILES CC(=O)NCC(O)C(C=O)/C(=C/C(=O)[O-])C(N)(O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O9/c1-5(16)14-3-8(17)6(4-15)7(2-9(18)19)12(13,23)10(20)11(21)22/h2,4,6,8,10,17,20,23H,3,13H2,1H3,(H,14,16)(H,18,19)(H,21,22)/b7-2-/t6?,8?,10?,12? SMILES (mnx) [CH3:1][C:5](=[N:14][CH2:3][CH:8]([CH:6]([CH:4]=[O:15])/[C:7](=[CH:2]/[C:9](=[O:18])[OH:19])[C:12]([CH:10]([C:11](=[O:21])[OH:22])[OH:20])([NH2:13])[OH:23])[OH:17])[OH:16]

Parent-child relations graph

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