13224601 -OEChem-04162409002D 121127 0 1 0 0 0 0 0999 V2000 17.3985 6.1371 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.0121 11.0013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.1213 15.8656 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.1213 6.3151 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.8442 6.4932 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8638 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 9.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5867 14.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3259 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6077 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 9.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0487 14.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 11.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3305 16.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5884 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 10.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3113 15.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 6.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9849 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8221 11.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 10.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9314 16.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7077 15.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8121 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 11.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5350 16.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0342 5.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5297 7.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7130 5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6543 7.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4306 5.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2578 7.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 7.9790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3245 12.8432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6016 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 6.3695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3245 11.2338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.1742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5122 13.0385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.6742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6462 11.5385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5122 10.0385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3259 4.8753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9150 5.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9122 4.0652 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8656 5.3726 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9395 9.7395 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0487 14.6038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5287 10.5475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6379 15.4118 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5259 8.9295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6351 13.7937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4792 10.2369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5884 15.1011 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6756 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2892 10.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3985 15.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3782 12.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1852 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 7.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9081 12.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3782 11.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5122 11.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6462 12.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0453 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3542 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3499 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4175 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 10.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7682 15.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 10.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0771 15.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 8.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0728 13.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 9.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1404 14.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0232 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2304 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 11.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 11.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7461 16.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9532 16.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0168 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0233 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 10.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7397 15.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 11.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7462 16.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8052 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 7.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5281 12.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3864 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1092 12.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2524 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3263 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 4.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9753 9.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0491 9.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7317 4.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 11.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 9.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4973 16.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4546 14.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1661 7.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2202 6.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1774 5.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 24 2 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 2 25 2 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 26 2 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 2 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 56 1 0 0 0 0 7 58 1 0 0 0 0 8 57 1 0 0 0 0 8 59 1 0 0 0 0 9 48 1 0 0 0 0 9 96 1 0 0 0 0 10 49 1 0 0 0 0 10 97 1 0 0 0 0 11 52 1 0 0 0 0 11 98 1 0 0 0 0 12 53 1 0 0 0 0 12 99 1 0 0 0 0 13 54 1 0 0 0 0 13100 1 0 0 0 0 14 55 1 0 0 0 0 14101 1 0 0 0 0 15 60 1 0 0 0 0 16 61 1 0 0 0 0 17 62 1 0 0 0 0 19114 1 0 0 0 0 20115 1 0 0 0 0 21116 1 0 0 0 0 22117 1 0 0 0 0 23118 1 0 0 0 0 28119 1 0 0 0 0 30120 1 0 0 0 0 31121 1 0 0 0 0 33 50 1 0 0 0 0 33 63 1 0 0 0 0 33 66 1 0 0 0 0 34 56 1 0 0 0 0 34 64 1 0 0 0 0 34 67 1 0 0 0 0 35 57 1 0 0 0 0 35 65 1 0 0 0 0 35 68 1 0 0 0 0 36 66 2 0 0 0 0 36 69 1 0 0 0 0 37 67 2 0 0 0 0 37 70 1 0 0 0 0 38 68 2 0 0 0 0 38 71 1 0 0 0 0 39 63 2 0 0 0 0 39 75 1 0 0 0 0 40 64 2 0 0 0 0 40 76 1 0 0 0 0 41 65 2 0 0 0 0 41 77 1 0 0 0 0 42 72 1 0 0 0 0 42 75 2 0 0 0 0 43 73 1 0 0 0 0 43 76 2 0 0 0 0 44 74 1 0 0 0 0 44 77 2 0 0 0 0 45 72 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 46 73 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 47 74 1 0 0 0 0 47112 1 0 0 0 0 47113 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 78 1 0 0 0 0 49 51 1 0 0 0 0 49 79 1 0 0 0 0 50 80 1 0 0 0 0 51 60 1 0 0 0 0 51 81 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 0 0 0 0 52 82 1 0 0 0 0 53 55 1 0 0 0 0 53 57 1 0 0 0 0 53 83 1 0 0 0 0 54 58 1 0 0 0 0 54 84 1 0 0 0 0 55 59 1 0 0 0 0 55 85 1 0 0 0 0 56 86 1 0 0 0 0 57 87 1 0 0 0 0 58 61 1 0 0 0 0 58 88 1 0 0 0 0 59 62 1 0 0 0 0 59 89 1 0 0 0 0 60 90 1 0 0 0 0 60 91 1 0 0 0 0 61 92 1 0 0 0 0 61 93 1 0 0 0 0 62 94 1 0 0 0 0 62 95 1 0 0 0 0 63 69 1 0 0 0 0 64 70 1 0 0 0 0 65 71 1 0 0 0 0 66102 1 0 0 0 0 67103 1 0 0 0 0 68104 1 0 0 0 0 69 72 2 0 0 0 0 70 73 2 0 0 0 0 71 74 2 0 0 0 0 75105 1 0 0 0 0 76106 1 0 0 0 0 77107 1 0 0 0 0 M END > 13224601 > 1 > 1280 > 39 > 17 > 16 > AAADcfB7/gOAAAAAAAAAAAAAAAAAAWLFiRIsWLAAAAAAAFgB/gAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate > [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate > [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate > [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate > [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate;[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate > [(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate > InChI=1S/C10H16N5O13P3.2C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;2*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/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);2*2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) > AYRMYZWSQHSJFP-UHFFFAOYSA-N > 1201.1219162 > C30H44N15O27P5 > 1201.6 > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N > C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N > 651 > 1201.1219162 > 0 > 77 > 0 > 12 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 49 10 3 52 11 3 53 12 3 54 13 3 55 14 3 50 33 3 33 63 8 33 66 8 56 34 3 34 64 8 34 67 8 57 35 3 35 65 8 35 68 8 36 66 8 36 69 8 37 67 8 37 70 8 38 68 8 38 71 8 39 63 8 39 75 8 40 64 8 40 76 8 41 65 8 41 77 8 42 72 8 42 75 8 43 73 8 43 76 8 44 74 8 44 77 8 51 60 3 58 61 3 59 62 3 63 69 8 64 70 8 65 71 8 69 72 8 70 73 8 71 74 8 48 9 3 $$$$