70699400 -OEChem-05102410252D 209222 0 1 0 0 0 0 0999 V2000 12.8661 5.8181 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.5261 1.5453 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.2682 -0.2343 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.2785 0.7363 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.5158 0.5747 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.8572 -3.3368 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.7346 -2.4157 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.3287 -0.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4174 3.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4071 2.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4435 -0.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 0.8408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8560 -1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5206 1.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5103 0.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8663 -0.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 -1.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5316 1.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6804 0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6907 1.5453 0.0000 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0 0 1 0 0 0 0 0 0 0 0 0 27.3608 0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 -0.7684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9390 -0.0252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3389 0.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3563 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4608 0.6329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9438 0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6859 0.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6962 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3220 -1.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3925 -4.9841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9335 -0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2879 -5.9786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3706 -4.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8706 -5.6422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4562 -4.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5608 -5.7266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6472 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -5.3902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1994 -4.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4219 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0 0 30.5684 2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2314 2.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4475 -5.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8542 -5.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -5.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5128 -0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3899 1.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4857 1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7407 0.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7208 2.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7105 1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5231 0.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0181 -2.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8296 -2.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4894 3.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2330 2.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4791 2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2227 1.9781 0.0000 H 0 0 0 0 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0 0 0 0 96170 1 0 0 0 0 97171 1 0 0 0 0 98 99 1 0 0 0 0 98102 1 6 0 0 0 98172 1 0 0 0 0 99100 1 0 0 0 0 99173 1 0 0 0 0 100101 1 0 0 0 0 100174 1 0 0 0 0 100175 1 0 0 0 0 101176 1 0 0 0 0 102177 1 0 0 0 0 102178 1 0 0 0 0 103179 1 0 0 0 0 103180 1 0 0 0 0 105114 2 0 0 0 0 105181 1 0 0 0 0 107115 2 0 0 0 0 107182 1 0 0 0 0 109116 2 0 0 0 0 109183 1 0 0 0 0 111119 2 0 0 0 0 111184 1 0 0 0 0 112122 2 0 0 0 0 112185 1 0 0 0 0 114120 1 0 0 0 0 114189 1 0 0 0 0 115121 1 0 0 0 0 115191 1 0 0 0 0 116123 1 0 0 0 0 118128 2 0 0 0 0 118195 1 0 0 0 0 119124 1 0 0 0 0 119198 1 0 0 0 0 122127 1 0 0 0 0 122199 1 0 0 0 0 126130 2 0 0 0 0 126202 1 0 0 0 0 128129 1 0 0 0 0 128205 1 0 0 0 0 130131 1 0 0 0 0 130207 1 0 0 0 0 M END > 70699400 > 1 > 5170 > 46 > 15 > 38 > AAADcfB//gOAEAAAAAAAAAAAAAAAASJEiRIgQIECAAAAAAAAAAAAHgBQCCABiBThgAYBAAPABxCoQCN2dICAAAEAAgAIAAAYAFChEAIAgAAOQAAPFyIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] [(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-bromanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate > [(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-bromo-2,4-diketo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate > InChI=1S/C63H78BrN15O46P6/c64-28-20-79(63(94)72-56(28)87)55-19-35(125-131(105,106)111-24-38-31(15-51(115-38)73-7-1-43(65)66-57(73)88)121-126(95,96)107-22-37-29(81)13-49(114-37)74-8-2-44(82)67-58(74)89)42(119-55)27-112-130(103,104)124-34-18-54(78-12-6-48(86)71-62(78)93)118-41(34)26-110-129(101,102)123-33-17-53(77-11-5-47(85)70-61(77)92)117-40(33)25-109-128(99,100)122-32-16-52(76-10-4-46(84)69-60(76)91)116-39(32)23-108-127(97,98)120-30-14-50(113-36(30)21-80)75-9-3-45(83)68-59(75)90/h1-12,20,29-42,49-55,80-81H,13-19,21-27H2,(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H2,65,66,88)(H,67,82,89)(H,68,83,90)(H,69,84,91)(H,70,85,92)(H,71,86,93)(H,72,87,94)/t29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,49+,50+,51+,52+,53+,54+,55+/m0/s1 > XTHMINBAMYEHQP-PFMBAFAKSA-N > -13.2 > 2045.18344 > C63H78BrN15O46P6 > 2047.1 > C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8CO)N9C=CC(=O)NC9=O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O)N1C=C(C(=O)NC1=O)Br)N1C=CC(=NC1=O)N)O > C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8CO)N9C=CC(=O)NC9=O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O)N1C=C(C(=O)NC1=O)Br)N1C=CC(=NC1=O)N)O > 795 > 2045.18344 > 0 > 131 > 21 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 105 114 8 107 115 8 109 116 8 111 119 8 112 122 8 114 120 8 115 121 8 116 123 8 118 128 8 119 124 8 122 127 8 126 130 8 128 129 8 69 13 6 130 131 8 70 14 5 71 15 5 75 16 5 84 17 5 93 23 5 99 31 5 54 104 8 54 105 8 80 54 5 55 106 8 55 107 8 81 55 6 56 108 8 56 109 8 82 56 6 57 110 8 57 111 8 86 57 6 58 112 8 58 113 8 88 58 6 59 117 8 59 118 8 97 59 6 101 60 6 60 125 8 60 126 8 61 104 8 61 120 8 62 106 8 62 121 8 63 108 8 63 123 8 64 110 8 64 124 8 65 113 8 65 127 8 66 117 8 66 129 8 67 125 8 67 131 8 72 89 5 73 91 6 74 90 6 79 92 6 85 94 6 95 103 6 98 102 6 $$$$