compound 0099545

Properties Image MNX_ID MNXM1192021 reference envipathM:...afa5870bca6f formula C13H18O8 global charge -2 mol weight 302.279 InChIKey MJAHCBHVMSDUCN-YWEYNIOJSA-L InChI InChI=1S/C13H20O8/c1-7(5-9(16)17)4-8(15)13(21,10(18)11(19)20)12(2,3)6-14/h4,7,14-15,21H,5-6H2,1-3H3,(H,16,17)(H,19,20)/p-2/b8-4- SMILES CC(/C=C(\O)C(O)(C(=O)C(=O)[O-])C(C)(C)CO)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H20O8/c1-7(5-9(16)17)4-8(15)13(21,10(18)11(19)20)12(2,3)6-14/h4,7,14-15,21H,5-6H2,1-3H3,(H,16,17)(H,19,20)/b8-4-/t7?,13? SMILES (mnx) [CH3:1][CH:7](/[CH:4]=[C:8](/[C:13]([C:10]([C:11]([OH:19])=[O:20])=[O:18])([C:12]([CH3:2])([CH3:3])[CH2:6][OH:14])[OH:21])[OH:15])[CH2:5][C:9](=[O:16])[OH:17]

Parent-child relations graph

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