compound 0098584

Properties Image MNX_ID MNXM1138847 reference envipathM:...a86b9d34c2ae formula C11H17O6 global charge -1 mol weight 245.251 InChIKey QSIRCVZDKFJDMJ-DAXSKMNVSA-M InChI InChI=1S/C11H18O6/c1-6(5-12)4-7(13)8(11(2,3)17)9(14)10(15)16/h4,6,8,12-13,17H,5H2,1-3H3,(H,15,16)/p-1/b7-4- SMILES CC(/C=C(\O)C(C(=O)C(=O)[O-])C(C)(C)O)CO MNX internals InChI (mnx) InChI=1/C11H18O6/c1-6(5-12)4-7(13)8(11(2,3)17)9(14)10(15)16/h4,6,8,12-13,17H,5H2,1-3H3,(H,15,16)/b7-4-/t6?,8? SMILES (mnx) [CH3:1][CH:6](/[CH:4]=[C:7](/[CH:8]([C:9]([C:10]([OH:15])=[O:16])=[O:14])[C:11]([CH3:2])([CH3:3])[OH:17])[OH:13])[CH2:5][OH:12]

Parent-child relations graph

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