71459959 -OEChem-05062423252D 85 88 0 1 0 0 0 0 0999 V2000 6.8909 0.0132 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.8025 -3.5092 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -0.6913 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.2201 -2.8047 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -1.3958 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -2.1002 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 2.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0484 -4.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4725 -2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6006 -2.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7970 -3.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 4.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9620 -6.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8079 -3.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 0.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9070 -4.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6979 -2.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 7.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4261 -6.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -0.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -1.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0292 -2.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 0.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4111 -3.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -0.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -3.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -1.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -1.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.0656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8280 -4.9456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.5656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6940 -6.4456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8793 -3.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4118 2.4778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8574 -3.4511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 1.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3793 -4.1092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 3.0656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9620 -4.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3086 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3848 -4.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8280 -5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6940 -4.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5600 -4.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5600 -5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2601 -3.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6970 -2.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1571 -4.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 3.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9295 -5.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 0.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.1217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8275 -4.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5557 -4.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 0.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8370 -1.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4717 -2.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6940 -3.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6940 -7.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0970 -4.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4054 -4.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -2.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9644 -1.6003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 -0.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -3.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 1 21 2 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 2 22 2 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 3 29 2 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 4 30 2 0 0 0 0 5 25 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 34 2 0 0 0 0 6 26 1 0 0 0 0 6 31 1 0 0 0 0 6 33 1 0 0 0 0 6 35 2 0 0 0 0 7 44 1 0 0 0 0 7 46 1 0 0 0 0 8 45 1 0 0 0 0 8 47 1 0 0 0 0 40 9 1 1 0 0 0 9 70 1 0 0 0 0 41 10 1 6 0 0 0 10 71 1 0 0 0 0 42 11 1 1 0 0 0 11 72 1 0 0 0 0 43 12 1 6 0 0 0 12 73 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 2 0 0 0 0 16 52 2 0 0 0 0 19 80 1 0 0 0 0 20 81 1 0 0 0 0 23 56 2 0 0 0 0 24 57 2 0 0 0 0 27 82 1 0 0 0 0 28 83 1 0 0 0 0 32 84 1 0 0 0 0 33 85 1 0 0 0 0 46 36 1 6 0 0 0 36 50 1 0 0 0 0 36 51 1 0 0 0 0 47 37 1 1 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 38 50 1 0 0 0 0 38 56 1 0 0 0 0 38 76 1 0 0 0 0 39 52 1 0 0 0 0 39 57 1 0 0 0 0 39 78 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 40 58 1 0 0 0 0 41 43 1 0 0 0 0 41 45 1 0 0 0 0 41 59 1 0 0 0 0 42 46 1 0 0 0 0 42 60 1 0 0 0 0 43 47 1 0 0 0 0 43 61 1 0 0 0 0 44 48 1 6 0 0 0 44 62 1 0 0 0 0 45 49 1 1 0 0 0 45 63 1 0 0 0 0 46 64 1 0 0 0 0 47 65 1 0 0 0 0 48 66 1 0 0 0 0 48 67 1 0 0 0 0 49 68 1 0 0 0 0 49 69 1 0 0 0 0 51 54 2 0 0 0 0 51 74 1 0 0 0 0 53 55 2 0 0 0 0 53 75 1 0 0 0 0 54 56 1 0 0 0 0 54 77 1 0 0 0 0 55 57 1 0 0 0 0 55 79 1 0 0 0 0 M END > 71459959 > 1 > 1840 > 29 > 12 > 18 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[[[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[[[(2S,3R,4S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[[[(2S,3R,4S,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H28N4O29P6/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(45-15)5-43-52(31,32)47-54(35,36)49-56(39,40)51-57(41,42)50-55(37,38)48-53(33,34)44-6-8-12(26)14(28)16(46-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,19,23,29)(H,20,24,30)/t7-,8+,11-,12+,13-,14+,15-,16+ > MHMPIASZRJDSQE-WWMDGMSNSA-N > -11.3 > 949.9264929 > C18H28N4O29P6 > 950.3 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O > C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=CC(=O)NC4=O)O)O)O)O > 487 > 949.9264929 > 0 > 57 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 41 10 6 42 11 5 43 12 6 46 36 6 36 50 8 36 51 8 47 37 5 37 52 8 37 53 8 38 50 8 38 56 8 39 52 8 39 57 8 44 48 6 45 49 5 51 54 8 53 55 8 54 56 8 55 57 8 40 9 5 $$$$