59918271 -OEChem-04252405202D 75 78 0 1 0 0 0 0 0999 V2000 6.8909 -0.6913 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.6378 -2.8047 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.4732 -1.3958 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0555 -2.1002 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.0298 1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8838 -4.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3079 -1.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4360 -2.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6324 -2.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7973 -5.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4787 -1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -2.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -0.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -3.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -1.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5333 -1.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 6.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2614 -5.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -1.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -0.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.3611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 -4.2411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -5.7411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.8222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4118 1.7733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7147 -2.5387 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6928 -2.7466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 0.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2147 -3.4047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 2.3611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7973 -3.7411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2201 -3.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6634 -5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -3.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 -4.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 -5.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0955 -2.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -2.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9925 -3.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7649 -4.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -0.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -0.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6629 -3.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3910 -4.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -0.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6724 -1.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3071 -1.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -3.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 5.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 5.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5294 -6.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9324 -3.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 -4.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -2.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7997 -0.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 19 2 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 26 2 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 4 27 2 0 0 0 0 5 36 1 0 0 0 0 5 38 1 0 0 0 0 6 37 1 0 0 0 0 6 39 1 0 0 0 0 7 32 1 0 0 0 0 7 62 1 0 0 0 0 8 33 1 0 0 0 0 8 63 1 0 0 0 0 9 34 1 0 0 0 0 9 64 1 0 0 0 0 35 10 1 6 0 0 0 10 65 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 2 0 0 0 0 14 44 2 0 0 0 0 17 72 1 0 0 0 0 18 73 1 0 0 0 0 21 48 2 0 0 0 0 22 49 2 0 0 0 0 24 74 1 0 0 0 0 25 75 1 0 0 0 0 38 28 1 6 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 39 29 1 6 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 42 1 0 0 0 0 30 48 1 0 0 0 0 30 68 1 0 0 0 0 31 44 1 0 0 0 0 31 49 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 32 50 1 0 0 0 0 33 38 1 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34 52 1 0 0 0 0 35 39 1 0 0 0 0 35 53 1 0 0 0 0 36 40 1 6 0 0 0 36 54 1 0 0 0 0 37 41 1 6 0 0 0 37 55 1 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 43 46 2 0 0 0 0 43 66 1 0 0 0 0 45 47 2 0 0 0 0 45 67 1 0 0 0 0 46 48 1 0 0 0 0 46 69 1 0 0 0 0 47 49 1 0 0 0 0 47 71 1 0 0 0 0 M END > 59918271 > 1 > 1490 > 23 > 10 > 14 > AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > [[(2R,4S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[[(2R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate > [[(2R,4S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate > [[(2R,4S,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(2R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate > InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)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,19,23,29)(H,20,24,30)/t7-,8-,11?,12?,13+,14?,15-,16-/m1/s1 > NMLMACJWHPHKGR-JXQOENBJSA-N > -9.1 > 789.99383108 > C18H26N4O23P4 > 790.3 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=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([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3C(C([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O > 394 > 789.99383108 > 0 > 49 > 5 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 35 10 6 38 28 6 28 42 8 28 43 8 39 29 6 29 44 8 29 45 8 30 42 8 30 48 8 31 44 8 31 49 8 36 40 6 37 41 6 43 46 8 45 47 8 46 48 8 47 49 8 32 7 3 33 8 3 34 9 3 $$$$