2-Hydroxyisobutyric acid http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=6bf8352a-f496-4388-b47f-611c29b81b7a 15 14 0 0 0 0 0 0 0999 V2000 2.5369 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END > 11671 > 1 > 84.9 > 3 > 2 > 1 > AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACCAAAAgAIAACQCAIAAAAAAAAAAAFAAAABAAAAAAAAQAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-hydroxy-2-methyl-propanoic acid > 2-hydroxy-2-methylpropanoic acid > 2-hydroxy-2-methylpropanoic acid > 2-hydroxy-2-methyl-propanoic acid > 2-hydroxy-2-methyl-propionic acid > InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) > BWLBGMIXKSTLSX-UHFFFAOYSA-N > -0.4 > 104.047344 > C4H8O3 > 104.10452 > CC(C)(C(=O)O)O > CC(C)(C(=O)O)O > 57.5 > 104.047344 > 0 > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 3