451668 -OEChem-10051719333D 28 29 0 1 0 0 0 0 0999 V2000 1.4670 -0.2280 -0.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4622 1.8584 0.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -2.7862 -0.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 2.4317 -0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 0.3368 -0.1696 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 0.7082 -0.0608 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 -1.4613 0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 -1.0655 0.3299 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 0.7707 0.6981 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3733 1.1291 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -0.4127 -0.2524 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6916 0.7977 -0.3409 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6185 -1.7498 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.2297 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.9900 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 -0.5689 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 0.5430 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 0.4993 1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 2.1752 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 -0.4327 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7086 1.6714 -1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.8092 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 -1.9216 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 2.6104 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -1.6696 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 -3.6265 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6038 -2.0522 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2556 -0.4589 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 14 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 15 25 1 0 0 0 0 M END > DB01262 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XAUDJQYHKZQPEU-KVQBGUIXSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 > InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1 > XAUDJQYHKZQPEU-KVQBGUIXSA-N > C8H12N4O4 > 228.2053 > 228.085854892 > 7 > 28 > 1.1165964517753615e-05 > 21.152792212911585 > 1 > 3 > 0 > 0 > 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one > -1.96 > -2.1646948889999997 > -1.62 > 0 > 0 > 2 > 0 > 14.787462757393836 > 13.89482653451755 > 2.0930619292819053 > 120.73999999999998 > 50.6825 > 2 > 1 > 5.50e+00 g/l > tetrahydrofolic acid > 0 $$$$