Structure #1 Mrv0541 02241206592D 9 8 0 0 0 0 999 V2000 -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 M END > M2MDB000938 > M2MDB > CC(O)CC(=O)C(O)=O > InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9) > HFKQINMYQUXOCH-UHFFFAOYSA-N > C5H8O4 > 132.1146 > 132.042258744 > 4 > 11.939811955813818 > 1 > 2 > 0 > 0 > 4-hydroxy-2-oxopentanoic acid > -0.67 > -0.09778633166666663 > -0.06 > 0 > 0 > -1 > 15.499099279747792 > 3.107208587421446 > -2.593847924747535 > 74.6 > 28.8101 > 3 > 1 > 1.16e+02 g/l > 4-hydroxy-2-oxopentanoic acid > 0 > ECMDB20090 > 4-Hydroxy-2-oxopentanoate $$$$