20055482 -OEChem-10061700203D 50 49 0 1 0 0 0 0 0999 V2000 1.7132 -3.2452 0.2767 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 3.2565 0.2689 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 1.6198 -1.2240 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 -1.6380 -1.2186 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 -1.7603 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 1.7711 0.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 -0.5731 2.8561 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 0.5804 2.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 0.4289 -0.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 -0.4338 -0.8546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 -3.2335 -0.9929 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 -3.7926 1.4773 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 3.2455 -0.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1209 3.8034 1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 1.7066 -0.2012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 2.7837 -1.6763 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2109 -1.7287 -0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4526 -2.7969 -1.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 -0.5982 1.6510 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4816 0.6059 1.6507 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4233 -0.6368 0.4355 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4211 0.6481 0.4286 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3051 0.6013 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 -0.5905 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -4.0303 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 4.0413 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9046 0.8246 -2.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9198 -0.8590 -2.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 -1.5235 1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 1.5265 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 -0.7627 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8507 0.7738 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7031 1.5026 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 0.7305 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6967 -1.4893 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9324 -0.7239 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 -0.5454 3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8554 1.3448 2.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 -3.5457 -0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -5.0824 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8695 -3.9443 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 3.5571 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 5.0935 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 3.9546 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1166 0.6486 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 1.4883 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 -0.1163 -2.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 -0.6795 -3.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 -1.5331 -3.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 0.0790 -2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 26 1 0 0 0 0 3 9 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 27 1 0 0 0 0 4 10 1 0 0 0 0 4 17 2 0 0 0 0 4 18 2 0 0 0 0 4 28 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 20 1 0 0 0 0 8 38 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > DB13334 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UUVIQYKKKBJYJT-ZYUZMQFOSA-N/SDF?record_type=3d > CS(=O)(=O)OC[C@@H](OS(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O > InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1 > UUVIQYKKKBJYJT-ZYUZMQFOSA-N > C10H22O14S4 > 494.51 > 493.989240084 > 10 > 50 > 42.70236856088415 > 0 > 2 > 0 > 0 > (2R,3S,4S,5R)-3,4-dihydroxy-1,5,6-tris(methanesulfonyloxy)hexan-2-yl methanesulfonate > -1.59 > -3.985361959333333 > -2.14 > 0 > 0 > 0 > 14.120229360679613 > 12.69545840433344 > -3.675135973841128 > 213.93999999999997 > 89.41359999999999 > 13 > 1 > 3.62e+00 g/l > mannosulfan > 0 $$$$