60073777 -OEChem-04192408522D 83 86 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 14.3079 -1.6251 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 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 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 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 9.4677 -1.2912 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 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 14.7147 -2.5387 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 4.7208 0.8222 0.0000 C 0 0 1 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 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 7.6999 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7424 -3.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 -1.5124 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 14.0955 -2.5062 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 5.3332 0.9192 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 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 14.6724 -1.1235 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 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 8.0644 -0.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2015 0.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 0.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1258 -3.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8072 -4.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3590 -3.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6426 -3.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1944 -2.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2290 -2.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3661 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5001 -1.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 1 18 2 0 0 0 0 1 46 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 2 19 2 0 0 0 0 2 47 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 3 22 2 0 0 0 0 3 48 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 23 2 0 0 0 0 4 49 1 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 33 1 0 0 0 0 6 35 1 0 0 0 0 7 28 1 0 0 0 0 7 62 1 0 0 0 0 8 29 1 0 0 0 0 8 63 1 0 0 0 0 9 30 1 0 0 0 0 9 64 1 0 0 0 0 32 10 1 6 0 0 0 10 65 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 15 38 2 0 0 0 0 16 40 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 39 1 0 0 0 0 35 25 1 6 0 0 0 25 40 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 68 1 0 0 0 0 27 40 1 0 0 0 0 27 45 1 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 51 1 0 0 0 0 30 34 1 0 0 0 0 30 52 1 0 0 0 0 31 36 1 6 0 0 0 31 53 1 0 0 0 0 32 35 1 0 0 0 0 32 54 1 0 0 0 0 33 37 1 6 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 39 42 2 0 0 0 0 39 66 1 0 0 0 0 41 43 2 0 0 0 0 41 67 1 0 0 0 0 42 44 1 0 0 0 0 42 69 1 0 0 0 0 43 45 1 0 0 0 0 43 71 1 0 0 0 0 46 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 47 75 1 0 0 0 0 47 76 1 0 0 0 0 47 77 1 0 0 0 0 48 78 1 0 0 0 0 48 79 1 0 0 0 0 48 80 1 0 0 0 0 49 81 1 0 0 0 0 49 82 1 0 0 0 0 49 83 1 0 0 0 0 M END > 60073777 > 1 > 1490 > 19 > 6 > 14 > AAADcfB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHggQCCAACBThgAYDAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 1-[(2R,5R)-5-[[[[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione > 1-[(2R,5R)-5-[[[[[[(2R,4S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-methylphosphoryl]oxy-methylphosphoryl]oxy-methylphosphoryl]oxy-methylphosphoryl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]pyrimidine-2,4-dione > 1-[(2R,5R)-5-[[[[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-methylphosphoryl]oxy-methylphosphoryl]oxy-methylphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione > 1-[(2R,5R)-5-[[[[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphoryl]oxy-methylphosphoryl]oxy-methylphosphoryl]oxy-methylphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione > 1-[(2R,5R)-5-[[[[[[(2R,4S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione > 1-[(2R,5R)-5-[[[[[[(2R,4S,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxy-methyl-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone > InChI=1S/C22H34N4O19P4/c1-46(35,39-9-11-15(29)17(31)19(41-11)25-7-5-13(27)23-21(25)33)43-48(3,37)45-49(4,38)44-47(2,36)40-10-12-16(30)18(32)20(42-12)26-8-6-14(28)24-22(26)34/h5-8,11-12,15-20,29-32H,9-10H2,1-4H3,(H,23,27,33)(H,24,28,34)/t11-,12-,15?,16?,17+,18?,19-,20-,46?,47?,48?,49?/m1/s1 > JFDRHOWEDGRDED-QJYXYDMMSA-N > -7.1 > 782.07677286 > C22H34N4O19P4 > 782.4 > CP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(C)OP(=O)(C)OP(=O)(C)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O > CP(=O)(OC[C@@H]1C([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)OP(=O)(C)OP(=O)(C)OP(=O)(C)OC[C@@H]3C(C([C@@H](O3)N4C=CC(=O)NC4=O)O)O > 313 > 782.07677286 > 0 > 49 > 5 > 7 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 46 3 32 10 6 2 47 3 34 24 6 24 38 8 24 39 8 35 25 6 25 40 8 25 41 8 26 38 8 26 44 8 27 40 8 27 45 8 3 48 3 31 36 6 33 37 6 39 42 8 4 49 3 41 43 8 42 44 8 43 45 8 28 7 3 29 8 3 30 9 3 $$$$