46874152 -OEChem-05092412402D 80 83 0 1 0 0 0 0 0999 V2000 6.8909 0.2164 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.2201 -2.6016 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -0.4881 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -1.8971 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -1.1926 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 2.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3902 -4.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1302 -5.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8902 -6.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 1.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8079 -3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 4.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1151 -7.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -0.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -1.7925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0292 -2.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -0.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4111 -3.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 7.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5035 -6.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -2.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 0.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -0.9025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -1.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.2688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6503 -5.3751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.7688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8093 -6.6623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.7299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0812 -5.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4118 2.6810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8902 -5.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 1.7299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3902 -4.1151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 3.2688 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6993 -5.0661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3086 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8025 -3.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8582 -6.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3935 -4.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3445 -5.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5524 -5.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9842 -5.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 3.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4427 -5.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6717 -3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 3.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7962 -5.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 0.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3597 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6316 -2.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 0.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0013 -5.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3533 -6.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2646 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 6.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9382 -7.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 6.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8053 -4.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 1.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9644 -1.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -1.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -3.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 0.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 1 20 2 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 2 21 2 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 3 28 2 0 0 0 0 4 17 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 4 29 2 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 30 1 0 0 0 0 5 31 2 0 0 0 0 6 40 1 0 0 0 0 6 42 1 0 0 0 0 7 41 1 0 0 0 0 7 43 1 0 0 0 0 36 8 1 1 0 0 0 8 66 1 0 0 0 0 37 9 1 1 0 0 0 9 67 1 0 0 0 0 38 10 1 1 0 0 0 10 68 1 0 0 0 0 39 11 1 1 0 0 0 11 69 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 2 0 0 0 0 15 47 2 0 0 0 0 18 76 1 0 0 0 0 19 77 1 0 0 0 0 22 52 2 0 0 0 0 23 53 2 0 0 0 0 26 78 1 0 0 0 0 27 79 1 0 0 0 0 30 80 1 0 0 0 0 32 42 1 0 0 0 0 32 46 1 0 0 0 0 32 48 1 0 0 0 0 33 43 1 0 0 0 0 33 47 1 0 0 0 0 33 49 1 0 0 0 0 34 46 1 0 0 0 0 34 52 1 0 0 0 0 34 72 1 0 0 0 0 35 47 1 0 0 0 0 35 53 1 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 40 1 0 0 0 0 36 54 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 37 55 1 0 0 0 0 38 42 1 0 0 0 0 38 56 1 0 0 0 0 39 43 1 0 0 0 0 39 57 1 0 0 0 0 40 44 1 6 0 0 0 40 58 1 0 0 0 0 41 45 1 6 0 0 0 41 59 1 0 0 0 0 42 60 1 0 0 0 0 43 61 1 0 0 0 0 44 62 1 0 0 0 0 44 63 1 0 0 0 0 45 64 1 0 0 0 0 45 65 1 0 0 0 0 48 50 2 0 0 0 0 48 70 1 0 0 0 0 49 51 2 0 0 0 0 49 71 1 0 0 0 0 50 52 1 0 0 0 0 50 74 1 0 0 0 0 51 53 1 0 0 0 0 51 75 1 0 0 0 0 M END > 46874152 > 1 > 1670 > 26 > 11 > 16 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[[(2S,3R,4S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > [[(2R,3S,4R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[[(2S,3R,4S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2S,3R,4S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2S,3R,4S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,3S,4R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[[(2S,3R,4S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate > [[(2R,3S,4R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[[(2S,3R,4S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H27N4O26P5/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(43-15)5-41-49(31,32)45-51(35,36)47-53(39,40)48-52(37,38)46-50(33,34)42-6-8-12(26)14(28)16(44-8)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,19,23,29)(H,20,24,30)/t7-,8+,11-,12+,13-,14+,15?,16? > DTPUCAAWIZAYGN-ZIXQWJLSSA-N > -10.2 > 869.96016197 > C18H27N4O26P5 > 870.3 > 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)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O > C1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3[C@@H]([C@@H](C(O3)N4C=CC(=O)NC4=O)O)O)O)O > 440 > 869.96016197 > 0 > 53 > 6 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 38 10 5 39 11 5 42 32 3 32 46 8 32 48 8 43 33 3 33 47 8 33 49 8 34 46 8 34 52 8 35 47 8 35 53 8 40 44 6 41 45 6 48 50 8 49 51 8 50 52 8 51 53 8 36 8 5 37 9 5 $$$$