Mrv1652305261923532D 9 8 0 0 0 0 999 V2000 13.4655 -11.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 -12.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8945 -11.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6090 -12.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8945 -11.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 -13.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 -11.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3832 -11.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7511 -12.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 1 9 1 0 0 0 0 M END > FDB022773 > foodb > CCC(O)(CC)C(O)=O > InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) > LXVSANCQXSSLPA-UHFFFAOYSA-N > C6H12O3 > 132.1577 > 132.07864425 > 3 > 21 > 13.672227167482507 > 1 > 2 > 0 > 0 > 2-ethyl-2-hydroxybutanoic acid > 0.52 > 1.005981158 > 0.15 > 0 > 0 > -1 > 13.916560738917497 > 4.208748201721341 > -3.9382417854830125 > 57.53 > 32.601099999999995 > 3 > 1 > 1.87e+02 g/l > 2-ethyl-2-hydroxybutyric acid > 0 > FDB022773 > 2-Ethyl-2-Hydroxybutyric acid $$$$