57496918 -OEChem-04252401442D 60 63 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 5.0518 3.1218 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 3.1550 1.3618 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 3.9684 -0.4653 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 6.3251 1.4663 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 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 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 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 4.7428 2.1708 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 1 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 3.3807 -1.2743 0.0000 C 0 0 0 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 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 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 4.2839 -6.4225 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 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 3.3368 3.7342 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 3.6903 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 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 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 2.0219 3.0160 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 2.8398 4.8996 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 6.6895 0.9647 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 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 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 20 4 1 1 0 0 0 21 5 1 1 0 0 0 5 50 1 0 0 0 0 6 28 1 0 0 0 0 25 7 1 6 0 0 0 7 51 1 0 0 0 0 26 8 1 1 0 0 0 8 52 1 0 0 0 0 9 29 1 0 0 0 0 9 55 1 0 0 0 0 10 58 1 0 0 0 0 12 30 2 0 0 0 0 13 32 2 0 0 0 0 14 36 2 0 0 0 0 15 37 2 0 0 0 0 23 16 1 6 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 27 17 1 6 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 30 1 0 0 0 0 18 36 1 0 0 0 0 18 56 1 0 0 0 0 19 32 1 0 0 0 0 19 37 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 29 1 1 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 6 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 31 34 2 0 0 0 0 31 53 1 0 0 0 0 33 35 2 0 0 0 0 33 54 1 0 0 0 0 34 36 1 0 0 0 0 34 57 1 0 0 0 0 35 37 1 0 0 0 0 35 60 1 0 0 0 0 M END > 57496918 > 1 > 1070 > 14 > 7 > 8 > AAADceB7vAIAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate > [(2R,3R,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate > InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8+,11-,12+,13+,14+,15+,16+/m0/s1 > KXSPLNAXPMVUEC-XRBRFOBKSA-N > -5.8 > 550.09483842 > C18H23N4O14P > 550.4 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O > C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O > 254 > 550.09483842 > 0 > 37 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 16 6 16 30 8 16 31 8 27 17 6 17 32 8 17 33 8 18 30 8 18 36 8 19 32 8 19 37 8 22 29 5 24 28 6 31 34 8 33 35 8 34 36 8 35 37 8 20 4 5 21 5 5 25 7 6 26 8 5 $$$$