1855 -OEChem-10051719563D 29 29 0 0 0 0 0 0 0999 V2000 2.4315 2.0141 0.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 -0.6914 0.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 -1.6908 0.5953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 2.7277 -0.0668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 1.1054 -0.4854 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8172 0.5205 0.2757 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 -0.4065 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.4159 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.2160 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 0.9044 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 -0.6824 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1433 -1.2028 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5329 -0.8348 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 -2.6700 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 1.5383 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 -1.2146 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 -1.3620 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 0.3497 -1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 1.0727 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 0.8714 1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 0.0844 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -1.6536 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 1.8098 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -3.2074 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0567 -3.0794 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2241 -2.8896 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 0.7964 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 2.8081 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -1.3894 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 28 1 0 0 0 0 2 11 1 0 0 0 0 2 29 1 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB02500 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CLCPDSJUXHDRGX-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(CC(CO)CO)NC(=O)NC1=O > InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15) > CLCPDSJUXHDRGX-UHFFFAOYSA-N > C9H14N2O4 > 214.2185 > 214.095356946 > 4 > 29 > -0.009034156529041392 > 20.89272382422618 > 1 > 4 > 0 > 0 > 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione > -1.01 > -1.7574044206666661 > -1.40 > 0 > 0 > 1 > 0 > 14.068831813066085 > 9.040175660038331 > -2.629777959330931 > 98.66 > 53.500699999999995 > 4 > 1 > 8.62e+00 g/l > tetrahydrofolic acid > 0 $$$$