compound 0108320

Properties Image MNX_ID MNXM1138078 reference envipathM:...ef19b7309ec4 formula C12H17N2O8 global charge -1 mol weight 317.274 InChIKey POCXQGOLSKSJFV-BAQGIRSFSA-M InChI InChI=1S/C12H18N2O8/c1-7(17)14(11(20)6-16)4-10(19)13-3-8(5-15)2-9(18)12(21)22/h3,5,7,11,16-17,20H,2,4,6H2,1H3,(H,13,19)(H,21,22)/p-1/b8-3- SMILES CC(O)N(C/C(O)=N/C=C(\C=O)CC(=O)C(=O)[O-])C(O)CO MNX internals InChI (mnx) InChI=1/C12H18N2O8/c1-7(17)14(11(20)6-16)4-10(19)13-3-8(5-15)2-9(18)12(21)22/h3,5,7,11,16-17,20H,2,4,6H2,1H3,(H,13,19)(H,21,22)/b8-3-/t7?,11? SMILES (mnx) [CH3:1][CH:7]([N:14]([CH2:4]/[C:10](=[N:13]/[CH:3]=[C:8](/[CH2:2][C:9]([C:12]([OH:21])=[O:22])=[O:18])[CH:5]=[O:15])[OH:19])[CH:11]([CH2:6][OH:16])[OH:20])[OH:17]

Parent-child relations graph

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