58220126 -OEChem-04232406172D 67 70 0 1 0 0 0 0 0999 V2000 10.0555 -1.8971 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8909 -0.4881 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -1.1926 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.2256 -3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9655 -4.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7256 -5.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9505 -6.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.3093 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6999 0.0997 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2465 -2.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3389 -5.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.1871 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3687 -0.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4857 -4.6706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.5643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6447 -5.9578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 5.0643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9166 -4.3616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7208 1.0254 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7256 -4.9494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4118 1.9765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2256 -3.4106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 1.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5346 -4.3616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 2.5643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6378 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6936 -5.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2288 -4.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1799 -4.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3878 -5.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4782 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2780 -5.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 -2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9730 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 -2.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 -2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8366 -5.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1887 -6.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0999 -3.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7736 -6.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6406 -3.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 2 19 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 3 23 2 0 0 0 0 4 32 1 0 0 0 0 4 34 1 0 0 0 0 5 33 1 0 0 0 0 5 35 1 0 0 0 0 6 28 1 0 0 0 0 6 58 1 0 0 0 0 7 29 1 0 0 0 0 7 59 1 0 0 0 0 30 8 1 6 0 0 0 8 60 1 0 0 0 0 31 9 1 6 0 0 0 9 61 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 2 0 0 0 0 13 39 2 0 0 0 0 20 44 2 0 0 0 0 21 45 2 0 0 0 0 34 24 1 6 0 0 0 24 38 1 0 0 0 0 24 40 1 0 0 0 0 35 25 1 6 0 0 0 25 39 1 0 0 0 0 25 41 1 0 0 0 0 26 38 1 0 0 0 0 26 44 1 0 0 0 0 26 64 1 0 0 0 0 27 39 1 0 0 0 0 27 45 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 46 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 29 47 1 0 0 0 0 30 34 1 0 0 0 0 30 48 1 0 0 0 0 31 35 1 0 0 0 0 31 49 1 0 0 0 0 32 36 1 6 0 0 0 32 50 1 0 0 0 0 33 37 1 6 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 40 42 2 0 0 0 0 40 62 1 0 0 0 0 41 43 2 0 0 0 0 41 63 1 0 0 0 0 42 44 1 0 0 0 0 42 66 1 0 0 0 0 43 45 1 0 0 0 0 43 67 1 0 0 0 0 M CHG 3 16 -1 17 -1 22 -1 M END > 58220126 > 1 > 1300 > 20 > 6 > 12 > AAADceB7vgMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate > [[(2S,4R,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [[(2R,4S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate > [[(2S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate > [[(2S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate > [[(2S,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[(2R,4S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate > [[(2S,4R,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [[(2R,4S,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate > InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)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,19,23,29)(H,20,24,30)/p-3/t7-,8+,11?,12?,13+,14-,15-,16+ > JPNWHMPVXHYIKN-ZOMPXNFRSA-K > -8.2 > 707.00402510 > C18H22N4O20P3-3 > 707.3 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=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([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3C([C@H]([C@H](O3)N4C=CC(=O)NC4=O)O)O)O)O > 356 > 707.00402510 > -3 > 45 > 6 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 34 24 6 24 38 8 24 40 8 35 25 6 25 39 8 25 41 8 26 38 8 26 44 8 27 39 8 27 45 8 32 36 6 33 37 6 40 42 8 41 43 8 42 44 8 43 45 8 28 6 3 29 7 3 30 8 6 31 9 6 $$$$