compound 0100856

Properties Image MNX_ID MNXM1172255 reference envipathM:...28ae4753428f formula C9H12NO5 global charge -1 mol weight 214.197 InChIKey HAMCHDFJKWDMPX-XCVCLJGOSA-M InChI InChI=1S/C9H13NO5/c1-2-7(10-3-4-11)6(5-12)8(13)9(14)15/h3-4,6-7,12H,2,5H2,1H3,(H,14,15)/p-1/b10-3+ SMILES CCC(/N=C/C=O)C(CO)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H13NO5/c1-2-7(10-3-4-11)6(5-12)8(13)9(14)15/h3-4,6-7,12H,2,5H2,1H3,(H,14,15)/b10-3+/t6?,7? SMILES (mnx) [CH3:1][CH2:2][CH:7]([CH:6]([CH2:5][OH:12])[C:8]([C:9]([OH:14])=[O:15])=[O:13])/[N:10]=[CH:3]/[CH:4]=[O:11]

Parent-child relations graph

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