compound 0229149

Properties Image MNX_ID MNXM1183144 reference envipathM:...d58467599d09 formula C10H9NO8 global charge -2 mol weight 271.181 InChIKey FBSMYJURDSTQJN-UHFFFAOYSA-L InChI InChI=1S/C10H11NO8/c12-2-1-4-3-11-10(19,7(14)9(17)18)5(4)6(13)8(15)16/h2-3,5-6,11,13,19H,1H2,(H,15,16)(H,17,18)/p-2 SMILES O=CCC1=CNC(O)(C(=O)C(=O)[O-])C1C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H11NO8/c12-2-1-4-3-11-10(19,7(14)9(17)18)5(4)6(13)8(15)16/h2-3,5-6,11,13,19H,1H2,(H,15,16)(H,17,18)/t5?,6?,10? SMILES (mnx) [CH2:1]([CH:2]=[O:12])[C:4]1=[CH:3][NH:11][C:10]([C:7]([C:9]([OH:17])=[O:18])=[O:14])([OH:19])[CH:5]1[CH:6]([C:8](=[O:15])[OH:16])[OH:13]

Parent-child relations graph

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