compound 0100403

Properties Image MNX_ID MNXM1171140 reference envipathM:...fcad15f3be28 formula C9H9NO6 global charge -2 mol weight 227.172 InChIKey YJTZMSSKMIFPGT-FJQHFOHYSA-L InChI InChI=1S/C9H11NO6/c1-3-5(10-4-6(11)12)9(2,16)7(13)8(14)15/h3-4,16H,1-2H3,(H,11,12)(H,14,15)/p-2/b5-3-,10-4+ SMILES C/C=C(\N=C\C(=O)[O-])C(C)(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H11NO6/c1-3-5(10-4-6(11)12)9(2,16)7(13)8(14)15/h3-4,16H,1-2H3,(H,11,12)(H,14,15)/b5-3-,10-4+/t9? SMILES (mnx) [CH3:1]/[CH:3]=[C:5]([C:9]([CH3:2])([C:7]([C:8]([OH:14])=[O:15])=[O:13])[OH:16])\[N:10]=[CH:4]\[C:6](=[O:11])[OH:12]

Parent-child relations graph

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