176077 -OEChem-08131818513D 24 24 0 1 0 0 0 0 0999 V2000 -0.5186 -1.2202 1.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6915 -1.9754 -0.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 0.5711 -0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 -0.4962 -0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 1.5903 0.4175 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 -0.8430 -0.0862 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1380 0.5096 -0.3170 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0385 -0.7506 -0.4899 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7286 0.4163 0.2192 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9424 1.7127 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 0.4853 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -1.6415 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 0.7338 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 -0.6206 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 0.1980 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 2.5196 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 2.0346 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 1.4136 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 1.4518 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 0.2377 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1543 -0.5041 1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 -2.6885 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 1.3198 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 -0.2393 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > DB05018 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LXBIFEVIBLOUGU-DPYQTVNSSA-N/SDF?record_type=3d > OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1 > LXBIFEVIBLOUGU-DPYQTVNSSA-N > C6H13NO4 > 163.1717 > 163.084457909 > 5 > 24 > 15.86165893113866 > 1 > 5 > 0 > 0 > (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol > -2.22 > -2.885743183 > 0.50 > 0 > 1 > 1 > 14.040882857401087 > 12.906053630987142 > 8.062727249499266 > 92.95 > 36.5744 > 1 > 1 > 5.11e+02 g/l > migalastat > 0 $$$$