compound 0076774

Properties Image MNX_ID MNXM1268119 reference envipathM:...96bd190088a5 formula C9H10O7 global charge -2 mol weight 230.172 InChIKey DUCJVWUSMQOWBX-UHFFFAOYSA-L InChI InChI=1S/C9H12O7/c1-4(2-6(11)8(13)14)5(10)3-7(12)9(15)16/h4-5,10H,2-3H2,1H3,(H,13,14)(H,15,16)/p-2 SMILES CC(CC(=O)C(=O)[O-])C(O)CC(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H12O7/c1-4(2-6(11)8(13)14)5(10)3-7(12)9(15)16/h4-5,10H,2-3H2,1H3,(H,13,14)(H,15,16)/t4?,5? SMILES (mnx) [CH3:1][CH:4]([CH2:2][C:6]([C:8]([OH:13])=[O:14])=[O:11])[CH:5]([CH2:3][C:7]([C:9]([OH:15])=[O:16])=[O:12])[OH:10]

Parent-child relations graph

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