5459394 -OEChem-04252405192D 86 90 0 1 0 0 0 0 0999 V2000 3.5617 0.4482 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.9129 0.6573 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1707 2.4369 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 3.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 1.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -3.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4827 3.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 1.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9733 0.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -3.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 2.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7219 1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 4.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -4.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 7.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -7.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1653 2.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 3.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0662 1.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 4.7096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -4.7752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 6.2096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -6.0624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 2.1708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7428 2.1708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4338 3.1218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2428 3.7096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7874 -2.1879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7656 -2.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8701 -3.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9565 -3.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3306 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4952 -0.0472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9952 0.8188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1643 -0.7903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0778 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 5.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 5.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5884 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -5.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 -5.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 6.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 6.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -6.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -6.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 2.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 2.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 3.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 3.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1682 -2.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 -2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -4.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3577 -3.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 1.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5014 0.7658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1575 0.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 1.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5654 -0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 3.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2694 -0.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6843 -0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 4.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1577 2.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0744 1.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0984 -1.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -3.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 -5.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 6.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 6.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4171 -2.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1466 0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 -6.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6571 1.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5297 2.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7737 3.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 1 16 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 2 19 2 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 2 0 0 0 0 4 32 1 0 0 0 0 4 34 1 0 0 0 0 31 5 1 1 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 33 7 1 1 0 0 0 7 69 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 41 10 1 6 0 0 0 11 42 1 0 0 0 0 11 44 1 0 0 0 0 36 12 1 1 0 0 0 12 75 1 0 0 0 0 37 13 1 1 0 0 0 13 76 1 0 0 0 0 43 14 1 6 0 0 0 14 80 1 0 0 0 0 15 81 1 0 0 0 0 17 47 1 0 0 0 0 18 84 1 0 0 0 0 20 45 2 0 0 0 0 21 48 2 0 0 0 0 22 51 2 0 0 0 0 23 53 2 0 0 0 0 24 85 1 0 0 0 0 25 86 1 0 0 0 0 34 27 1 6 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 38 28 1 6 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 45 1 0 0 0 0 29 51 1 0 0 0 0 29 78 1 0 0 0 0 30 48 1 0 0 0 0 30 53 1 0 0 0 0 30 82 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 39 1 6 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 6 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 38 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 66 1 0 0 0 0 42 47 1 1 0 0 0 42 67 1 0 0 0 0 43 44 1 0 0 0 0 43 68 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 46 50 2 0 0 0 0 46 72 1 0 0 0 0 47 73 1 0 0 0 0 47 74 1 0 0 0 0 49 52 2 0 0 0 0 49 77 1 0 0 0 0 50 51 1 0 0 0 0 50 79 1 0 0 0 0 52 53 1 0 0 0 0 52 83 1 0 0 0 0 M END > 5459394 > 1 > 1640 > 23 > 10 > 15 > AAADcfB7vgMAAAAAAAAAAAAAAAAAASJEgAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[(2R,3S,4S)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-[[hydroxy-[[(2R,3S,4S)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl]oxy]phosphoryl]oxymethyl]-3-oxolanyl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[(2R,3S,4S)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[(2R,3S,4S)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4S)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy-[(2R,3S,4S)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C23H33N4O23P3/c28-9-5-43-11(7-44-51(36,37)38)18(9)49-52(39,40)46-8-12-19(17(33)21(48-12)27-4-2-14(30)25-23(27)35)50-53(41,42)45-6-10-15(31)16(32)20(47-10)26-3-1-13(29)24-22(26)34/h1-4,9-12,15-21,28,31-33H,5-8H2,(H,39,40)(H,41,42)(H,24,29,34)(H,25,30,35)(H2,36,37,38)/t9-,10+,11+,12+,15+,16+,17+,18-,19+,20+,21+/m0/s1 > MLTIZWSJOGZHRP-YYJDBJKWSA-N > -9 > 826.07484431 > C23H33N4O23P3 > 826.4 > C1C(C(C(O1)COP(=O)(O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)O > C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O > 386 > 826.07484431 > 0 > 53 > 11 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 41 10 6 36 12 5 37 13 5 43 14 6 34 27 6 27 45 8 27 46 8 38 28 6 28 48 8 28 49 8 29 45 8 29 51 8 30 48 8 30 53 8 32 39 6 35 40 6 42 47 5 46 50 8 49 52 8 31 5 5 50 51 8 52 53 8 33 7 5 $$$$