Isomugineic acid

Properties Image MNX_ID MNXM527516 reference chebi:175088 formula C12H20N2O8 global charge 0 mol weight 320.298 InChIKey GJRGEVKCJPPZIT-UHFFFAOYSA-N InChI InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22) SMILES O=C(O)C(O)CCNC(C(=O)O)C(O)CN1CCC1C(=O)O MNX internals InChI (mnx) InChI=1/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6?,7?,8?,9? SMILES (mnx) [CH2:1]([CH2:3][NH:13][CH:9]([CH:8]([CH2:5][N:14]1[CH2:4][CH2:2][CH:6]1[C:10](=[O:17])[OH:18])[OH:16])[C:12](=[O:21])[OH:22])[CH:7]([C:11](=[O:19])[OH:20])[OH:15]

Parent-child relations graph

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