Mrv1652310061707272D 9 8 0 0 0 0 999 V2000 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 M END > M2MDB000919 > M2MDB > CC(C)(O)C(=O)C(O)=O > InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8) > DNOPJXBPONYBLB-UHFFFAOYSA-N > C5H8O4 > 132.1146 > 132.042258744 > 4 > 17 > 11.820524785027752 > 1 > 2 > 0 > 0 > 3-hydroxy-3-methyl-2-oxobutanoic acid > -0.45 > 0.25015603566666667 > 0.04 > 0 > 0 > -1 > 13.657501869746838 > 3.0052066952204672 > -3.5469439548562933 > 74.6 > 28.899100000000004 > 2 > 1 > 1.44e+02 g/l > 2-oxo-3-hydroxyisovaleric acid > 0 > ECMDB20070 > 3-Hydroxy-3-methyl-2-oxobutanoic acid $$$$