5789 -OEChem-10051720363D 31 32 0 1 0 0 0 0 0999 V2000 1.6022 -0.1756 -0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 1.6190 0.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 -2.8552 -0.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 2.8169 -0.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3541 -0.4442 0.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4497 0.6043 -0.1853 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 1.1805 -0.0754 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 0.5907 0.7314 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9442 0.9090 -0.3253 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6418 1.1060 1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -0.5327 -0.2671 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5461 -1.8782 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -0.7217 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 1.6214 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0867 -1.1402 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 -0.1265 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.5735 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 0.2619 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 1.8011 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 0.4976 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6068 2.1519 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.6190 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6945 -1.8678 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 -2.1784 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 -1.4642 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 2.3408 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4684 1.8956 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -3.7039 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9923 -2.7068 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 -3.2322 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 -2.9052 -0.4854 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 > DB04485 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IQFYYKKMVGJFEH-XLPZGREQSA-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+/m0/s1 > IQFYYKKMVGJFEH-XLPZGREQSA-N > C10H14N2O5 > 242.2286 > 242.090271568 > 5 > 31 > -0.0010947214185747138 > 23.060984366910677 > 1 > 3 > 0 > 0 > 1-[(2R,4S,5R)-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 > 99.1 > 55.412000000000006 > 2 > 1 > 6.68e+01 g/l > biotin > 0 $$$$