compound 0099274

Properties Image MNX_ID MNXM1177746 reference envipathM:...026be7dcaa38 formula C13H20O6 global charge -2 mol weight 272.297 InChIKey LWHDCRQAZRCJDW-UHFFFAOYSA-L InChI InChI=1S/C13H22O6/c1-7(6-9(15)16)5-8(14)10(13(2,3)4)11(17)12(18)19/h7-8,10,14H,5-6H2,1-4H3,(H,15,16)(H,18,19)/p-2 SMILES CC(CC(=O)[O-])CC(O)C(C(=O)C(=O)[O-])C(C)(C)C MNX internals InChI (mnx) InChI=1/C13H22O6/c1-7(6-9(15)16)5-8(14)10(13(2,3)4)11(17)12(18)19/h7-8,10,14H,5-6H2,1-4H3,(H,15,16)(H,18,19)/t7?,8?,10? SMILES (mnx) [CH3:1][CH:7]([CH2:5][CH:8]([CH:10]([C:11]([C:12]([OH:18])=[O:19])=[O:17])[C:13]([CH3:2])([CH3:3])[CH3:4])[OH:14])[CH2:6][C:9](=[O:15])[OH:16]

Parent-child relations graph

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