Marvin 12050614312D 7 6 0 0 0 0 999 V2000 -2.6293 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -0.2812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9148 -1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 0.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 -0.2812 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3438 -0.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 5 4 2 0 0 0 0 5 6 1 0 0 0 0 M CHG 1 6 -1 M END > CHEBI:11805 > 3-hydroxyisobutyrate > 3 > 3-Hydroxyisobutyrate; 3-hydroxy-2-methylpropionate; 3-Hydroxy-2-methylpropanoate; 3-hydroxy-2-methylpropanoate; 3-hydroxy-2-isobutyrate > 3-hydroxy-2-methylpropanoate > C4H7O3 > 103.09658 > 103.04007 > -1 > CC(CO)C([O-])=O > InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1 > DBXBTMSZEOQQDU-UHFFFAOYSA-M > C01188 $$$$