5289024 -OEChem-02072018413D 27 28 0 1 0 0 0 0 0999 V2000 1.3590 1.7756 -0.4601 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 1.0970 0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 -2.7619 0.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -1.9517 -0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 2.0074 -0.2569 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 -0.4720 0.4173 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 -0.4790 0.8402 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1752 -1.4134 -0.0895 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3293 -1.1714 0.0098 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4364 0.9609 0.8623 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6357 0.3142 -0.1893 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1272 0.6172 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 0.5937 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 0.8833 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -0.8808 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -1.3054 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6884 -1.5227 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7612 1.4403 1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.6483 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5132 0.3534 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7121 0.0908 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -3.3424 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9182 -1.9633 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 0.0275 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 1.7561 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 1.0849 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 2.4701 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 10 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 11 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB03747 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DRHXTSWSUAJOJZ-FMDGEEDCSA-N/SDF?record_type=3d > [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(C)S2 > InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1 > DRHXTSWSUAJOJZ-FMDGEEDCSA-N > C8H13NO4S > 219.258 > 219.056528599 > 5 > 27 > 1.758262983728694e-05 > 21.136676381038072 > 1 > 3 > 0 > 0 > (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol > -1.04 > -1.369908509 > -1.07 > 0 > 0 > 2 > 0 > 14.103527904415971 > 12.806548894302606 > 2.285254645840294 > 82.28 > 50.3041 > 1 > 1 > 1.86e+01 g/l > L-threoninol > 0 $$$$