446429 -OEChem-11261900033D 30 30 0 1 0 0 0 0 0999 V2000 1.5295 -1.3834 -1.0549 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7265 -1.8589 0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 -0.5026 0.5736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 -0.8770 -0.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0058 1.7380 -0.0965 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.7158 0.3291 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 0.5667 0.2790 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4335 -0.7936 0.2426 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0387 -0.6235 0.6429 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7319 0.4728 -0.1763 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3820 1.6160 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 0.4621 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 0.0163 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4324 0.4512 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 0.8943 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9099 -1.4984 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -0.3813 1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8304 0.1586 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 2.5938 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 1.3684 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 2.0582 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 1.4193 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6492 0.1530 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1672 1.4197 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -2.2127 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5962 -1.7778 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -0.1930 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3064 0.0563 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 0.0685 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5003 1.5428 0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 9 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M END > DB03861 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IWVRQJNSUOIUFV-VGRMVHKJSA-N/SDF?record_type=3d > [H]N([C@H]1N([H])C[C@H](CO)[C@H](O)[C@@H]1O)C(C)=O > InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8-/m1/s1 > IWVRQJNSUOIUFV-VGRMVHKJSA-N > C8H16N2O4 > 204.2236 > 204.11100701 > 5 > 30 > 20.13910032838592 > 1 > 5 > 0 > 0 > N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide > -1.73 > -2.913648601666667 > -0.56 > 0 > 1 > 1 > 13.205130876852259 > 12.390025201208495 > 7.252345848396473 > 101.82 > 47.630300000000005 > 2 > 1 > 5.61e+01 g/l > 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-3H-pyrimidine-2,4-dione > 0 $$$$