Dihydrothymine.mol Mrv1652305271900092D 9 9 0 0 0 0 999 V2000 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 1 9 1 0 0 0 0 M END > M2MDB000029 > M2MDB > CC1CNC(=O)NC1=O > InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9) > NBAKTGXDIBVZOO-UHFFFAOYSA-N > C5H8N2O2 > 128.1292 > 128.05857751 > 2 > 17 > 12.032355612950356 > 1 > 2 > 0 > 0 > 5-methyl-1,3-diazinane-2,4-dione > -0.80 > -0.670221453 > -0.84 > 0 > 1 > 0 > 18.799734416362337 > 11.699408342323004 > -7.380677679727569 > 58.2 > 30.320000000000004 > 0 > 1 > 1.87e+01 g/l > dihydrothymine > 0 > ECMDB00079 > Dihydrothymine $$$$