44143234 -OEChem-04252409142D 88 89 0 1 0 0 0 0 0999 V2000 7.1021 6.1371 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5674 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9121 6.7235 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6884 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5157 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.0948 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3052 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 13.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 12.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 14.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 15.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 10.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 4.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6186 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6158 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5692 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4651 13.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 13.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 16.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 14.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 14.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 12.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 12.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 14.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 13.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 11.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 12.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 12.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 12.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 13.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 13.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 14.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 15.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 11.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 10.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 14.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 14.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 12.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 12.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 16.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 15.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 10.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 10.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7489 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1211 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 12.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 12.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 13.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 13.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 13.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 12.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 16.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 17.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 16.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 9.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 9.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 9.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7268 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7204 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 27 3 1 6 0 0 0 3 83 1 0 0 0 0 28 4 1 6 0 0 0 4 84 1 0 0 0 0 5 35 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 29 10 1 1 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 37 2 0 0 0 0 11 38 1 0 0 0 0 12 36 2 0 0 0 0 12 40 1 0 0 0 0 13 39 1 0 0 0 0 13 40 2 0 0 0 0 14 39 1 0 0 0 0 14 87 1 0 0 0 0 14 88 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 26 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 31 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 32 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 33 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 34 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 30 35 1 1 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 38 1 0 0 0 0 37 85 1 0 0 0 0 38 39 2 0 0 0 0 40 86 1 0 0 0 0 M CHG 2 6 -1 9 1 M END > 44143234 > 1 > 633 > 11 > 3 > 15 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYH8L9MFgCgAQZhZDCAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfate;tetrabutylammonium > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl sulfate;tetrabutylammonium > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfate;tetrabutylazanium > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfate;tetrabutylazanium > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfate;tetrabutylazanium > [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfate;tetrabutylammonium > InChI=1S/C16H36N.C10H13N5O7S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h5-16H2,1-4H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H,18,19,20)/q+1;/p-1/t;4-,6-,7-,10-/m.1/s1 > WSZSKCLOLHTNBW-LPEHXXKESA-M > 588.33051906 > C26H48N6O7S > 588.8 > CCCC[N+](CCCC)(CCCC)CCCC.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)[O-])O)O)N > CCCC[N+](CCCC)(CCCC)CCCC.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O)O)N > 194 > 588.33051906 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 29 10 5 10 36 8 10 37 8 11 37 8 11 38 8 12 36 8 12 40 8 13 39 8 13 40 8 27 3 6 30 35 5 36 38 8 38 39 8 28 4 6 $$$$