Mrv1533004161504272D 9 8 0 0 0 0 999 V2000 1.2375 -0.7145 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 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 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 4 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > NP0168903 > NP-MRD > CC(CCO)=CC(O)=O > InChI=1S/C6H10O3/c1-5(2-3-7)4-6(8)9/h4,7H,2-3H2,1H3,(H,8,9) > RDOTWGWEIPDTSY-UHFFFAOYSA-N > C6H10O3 > 130.143 > 130.062994182 > 3 > 19 > 13.050646598599949 > 1 > 2 > 0 > 0 > 5-hydroxy-3-methylpent-2-enoic acid > 0.12 > 0.17083360733333322 > -0.63 > 0 > 0 > -1 > 17.10759325283232 > 4.744822233201018 > -1.8769388392190294 > 57.53 > 33.7766 > 3 > 1 > 3.08e+01 g/l > 5-hydroxy-3-methylpent-2-enoic acid > 0 > NP0168903 > 5-hydroxy-3-methylpent-2-enoic acid $$$$