compound 0069556

Properties Image MNX_ID MNXM1175972 reference envipathM:...4401a300ff0d formula C13H20O6 global charge -2 mol weight 272.297 InChIKey WDYDXCZIGCEVOC-UHFFFAOYSA-L InChI InChI=1S/C13H22O6/c1-8(10(14)11(15)16)9(2)19-7-5-6-13(3,4)12(17)18/h8-9H,5-7H2,1-4H3,(H,15,16)(H,17,18)/p-2 SMILES CC(OCCCC(C)(C)C(=O)[O-])C(C)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22O6/c1-8(10(14)11(15)16)9(2)19-7-5-6-13(3,4)12(17)18/h8-9H,5-7H2,1-4H3,(H,15,16)(H,17,18)/t8?,9? SMILES (mnx) [CH3:1][CH:8]([CH:9]([CH3:2])[O:19][CH2:7][CH2:5][CH2:6][C:13]([CH3:3])([CH3:4])[C:12](=[O:17])[OH:18])[C:10]([C:11]([OH:15])=[O:16])=[O:14]

Parent-child relations graph

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