Mrv1718006201817022D 70 56 0 0 0 0 999 V2000 -0.7652 2.0914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3211 0.8865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5116 1.2964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5748 1.2964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9942 1.2964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3029 1.2964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5748 2.1304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0235 -0.4108 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 0.6086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 0.0574 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 -0.2402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 1.2719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 3.6425 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 2.4231 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 3.7839 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 2.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 2.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 2.0718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9942 2.1011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3211 2.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 0.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 3.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 0.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 0.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6966 0.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 0.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 4.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6966 2.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0053 2.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6966 3.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 -0.0597 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3956 -0.2402 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7307 -0.0060 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4139 -0.1669 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1160 0.8330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3565 4.0181 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4345 1.9841 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2967 3.3742 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9907 1.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 0.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0235 -1.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6674 -0.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2334 -0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 -0.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1648 1.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 2.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 -1.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0395 -0.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 3.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4345 2.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 3.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 4.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 4.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 2.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 3.4670 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -7.3306 0.7548 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -5.8087 -0.0791 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -2.7943 -1.3669 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.1077 4.0473 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.5075 2.0329 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.9418 -0.2254 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 1.1712 -0.3279 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.2033 -2.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 -2.5851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -2.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8591 -1.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -4.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 -4.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 -3.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 19 1 0 0 0 0 6 3 1 0 0 0 0 7 17 1 6 0 0 0 8 21 1 0 0 0 0 9 26 1 0 0 0 0 10 24 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 27 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 1 1 0 0 0 0 1 17 1 6 0 0 0 18 16 1 0 0 0 0 19 20 1 0 0 0 0 20 7 1 0 0 0 0 2 21 1 1 0 0 0 1 22 1 1 0 0 0 3 23 1 6 0 0 0 4 24 1 6 0 0 0 5 25 1 6 0 0 0 6 26 1 1 0 0 0 27 22 1 0 0 0 0 19 28 1 1 0 0 0 18 29 1 6 0 0 0 30 29 1 0 0 0 0 31 28 1 0 0 0 0 32 9 1 0 0 0 0 33 11 1 0 0 0 0 34 8 1 0 0 0 0 35 10 1 0 0 0 0 36 12 1 0 0 0 0 37 13 1 0 0 0 0 38 14 1 0 0 0 0 39 15 1 0 0 0 0 40 9 2 0 0 0 0 41 9 2 0 0 0 0 42 8 2 0 0 0 0 43 8 2 0 0 0 0 44 10 2 0 0 0 0 45 10 2 0 0 0 0 46 12 2 0 0 0 0 47 12 2 0 0 0 0 48 11 2 0 0 0 0 49 11 2 0 0 0 0 50 14 2 0 0 0 0 51 14 2 0 0 0 0 52 13 2 0 0 0 0 53 15 2 0 0 0 0 54 15 2 0 0 0 0 55 13 2 0 0 0 0 18 6 1 0 0 0 0 5 2 1 0 0 0 0 M CHG 8 32 -1 33 -1 34 -1 35 -1 36 -1 37 -1 38 -1 39 -1 M CHG 8 56 1 57 1 58 1 59 1 60 1 61 1 62 1 63 1 M END > DBSALT002733 > drugbank > O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC[C@H]1O[C@@](COS([O-])(=O)=O)(O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O > InChI=1S/C12H22O35S8.8K.7H2O/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;7*1H2/q;8*+1;;;;;;;/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;/m1.............../s1 > ZLYYTLMQNBUBHA-NGOJJLSFSA-F > C12H28K8O42S8 > 1413.58 > 1411.49173625 > 27 > 98 > 70.16472188966364 > 0 > 0 > 0 > 0 > octapotassium heptahydrate [(2S,3S,4R,5R)-3,4-bis(sulfooxy)-5-[(sulfooxy)methyl]-2-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl sulfate > 0.18 > -4.088948819666666 > -2.43 > 0 > 2 > -8 > -3.043797098617552 > -3.418786192343034 > 559.1300000000001 > 139.73489999999998 > 21 > 0 > 4.77e+00 g/l > octapotassium heptahydrate [(2S,3S,4R,5R)-3,4-bis(sulfooxy)-5-[(sulfooxy)methyl]-2-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl sulfate > 0 > DBSALT002733 > Sucrosofate potassium > DB01901 > Sucrosofate > 76578-81-9 > E6JGE99TEM $$$$