159269 -OEChem-10051719333D 31 32 0 1 0 0 0 0 0999 V2000 1.5971 0.1926 -0.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7373 -1.6882 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 2.8489 -0.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -2.8041 -0.3779 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3689 0.4504 0.2139 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -0.5903 -0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -1.1708 -0.0831 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -0.6230 0.7270 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9358 -0.8922 -0.3098 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6300 -1.0884 1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 0.5083 -0.2681 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6250 1.8614 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 0.7350 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -1.6091 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 1.1510 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 0.1352 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 2.5835 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -0.3323 1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 -1.7838 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 -2.1280 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 -0.4521 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6112 0.5674 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 2.1250 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7674 1.8821 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 1.4762 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 -1.8693 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 -1.8874 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3309 3.7014 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0172 2.7155 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 2.9140 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 3.2438 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 14 2 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END > DB01265 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IQFYYKKMVGJFEH-CSMHCCOUSA-N/SDF?record_type=3d > CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O > InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1 > IQFYYKKMVGJFEH-CSMHCCOUSA-N > C10H14N2O5 > 242.2286 > 242.090271568 > 5 > 31 > -0.0010947214185747138 > 23.196685232007372 > 1 > 3 > 0 > 0 > 1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione > -1.32 > -1.1190535893333329 > -0.56 > 0 > 0 > 2 > 0 > 13.907922676786031 > 9.960276156373078 > -2.9780835894464888 > 99.09999999999998 > 55.412000000000006 > 2 > 1 > 6.68e+01 g/l > tetrahydrofolic acid > 0 $$$$