70680595 -OEChem-05211305182D 111116 0 1 0 0 0 0 0999 V2000 5.9780 -1.8119 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6536 2.7083 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.0800 -4.2958 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0047 2.9174 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.5870 2.2129 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.9883 3.2310 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.8574 -0.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1436 5.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2523 -5.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 -0.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2468 3.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0603 1.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8405 -2.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -3.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 -2.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5745 5.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -6.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4169 3.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8915 -2.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 2.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0644 -1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5671 3.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6940 -0.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -4.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -5.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6026 6.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 -6.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -3.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5925 2.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8137 3.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1957 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 -3.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 9.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4148 -9.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5815 2.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6915 1.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4825 3.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3950 4.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9018 2.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0747 3.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -1.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 6.9697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -7.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 -1.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 8.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -8.3225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 -0.7938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8793 0.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0484 -1.5369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9619 -1.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8346 4.4309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5256 5.3820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8346 4.4309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7742 -4.6559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7523 -4.4480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3346 5.9697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6696 -5.6504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5832 -6.0572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4725 0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 -3.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4224 3.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6940 -1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -2.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2006 7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 -7.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -7.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6940 -3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2006 8.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 -8.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 -2.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 8.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -8.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0416 -0.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2694 0.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4495 -1.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 -1.7494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 3.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 4.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 4.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9346 -4.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3715 -4.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 6.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 -6.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -6.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 1.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 0.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 -3.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 -3.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8652 3.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 3.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3012 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1138 5.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -6.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 -2.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 7.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -7.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0969 -1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6940 -3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9564 -2.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9317 8.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 8.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 -8.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 -9.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9954 -5.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7489 4.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2579 0.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9666 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0116 4.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 1 21 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 2 22 2 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 28 2 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 2 0 0 0 0 5 29 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 2 0 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 2 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 53 1 0 0 0 0 8 56 1 0 0 0 0 9 55 1 0 0 0 0 9 58 1 0 0 0 0 47 10 1 6 0 0 0 51 11 1 1 0 0 0 12 59 1 0 0 0 0 49 13 1 6 0 0 0 13 92 1 0 0 0 0 54 14 1 6 0 0 0 15 60 1 0 0 0 0 52 16 1 1 0 0 0 16 93 1 0 0 0 0 57 17 1 6 0 0 0 17 94 1 0 0 0 0 18 61 1 0 0 0 0 19100 1 0 0 0 0 20101 1 0 0 0 0 23 62 2 0 0 0 0 24106 1 0 0 0 0 25107 1 0 0 0 0 26 64 2 0 0 0 0 27 66 2 0 0 0 0 30108 1 0 0 0 0 32 71 2 0 0 0 0 33 72 2 0 0 0 0 34 73 2 0 0 0 0 36109 1 0 0 0 0 38111 1 0 0 0 0 39110 1 0 0 0 0 50 41 1 1 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 56 42 1 6 0 0 0 42 64 1 0 0 0 0 42 65 1 0 0 0 0 58 43 1 1 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 62 1 0 0 0 0 44 71 1 0 0 0 0 44 98 1 0 0 0 0 45 64 1 0 0 0 0 45 72 1 0 0 0 0 45102 1 0 0 0 0 46 66 1 0 0 0 0 46 73 1 0 0 0 0 46104 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 74 1 0 0 0 0 48 59 1 1 0 0 0 48 75 1 0 0 0 0 49 50 1 0 0 0 0 49 76 1 0 0 0 0 50 77 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 78 1 0 0 0 0 52 56 1 0 0 0 0 52 79 1 0 0 0 0 53 61 1 6 0 0 0 53 80 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 0 0 0 0 54 81 1 0 0 0 0 55 60 1 1 0 0 0 55 82 1 0 0 0 0 56 83 1 0 0 0 0 57 58 1 0 0 0 0 57 84 1 0 0 0 0 58 85 1 0 0 0 0 59 86 1 0 0 0 0 59 87 1 0 0 0 0 60 88 1 0 0 0 0 60 89 1 0 0 0 0 61 90 1 0 0 0 0 61 91 1 0 0 0 0 63 68 2 0 0 0 0 63 95 1 0 0 0 0 65 69 2 0 0 0 0 65 96 1 0 0 0 0 67 70 2 0 0 0 0 67 97 1 0 0 0 0 68 71 1 0 0 0 0 68 99 1 0 0 0 0 69 72 1 0 0 0 0 69103 1 0 0 0 0 70 73 1 0 0 0 0 70105 1 0 0 0 0 M END > 70680595 > 1 > 2610 > 34 > 14 > 22 > AAADcfB7vgOAAAAAAAAAAAAAAAAAASJEgAAgQIAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono 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-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate > [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate > InChI=1S/C27H38N6O34P6/c34-13-1-4-31(25(40)28-13)22-16(37)19(63-68(43,44)45)10(60-22)7-57-70(49,50)64-20-11(61-23(17(20)38)32-5-2-14(35)29-26(32)41)8-58-71(51,52)65-21-12(9-59-72(53,54)67-73(55,56)66-69(46,47)48)62-24(18(21)39)33-6-3-15(36)30-27(33)42/h1-6,10-12,16-24,37-39H,7-9H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,28,34,40)(H,29,35,41)(H,30,36,42)(H2,43,44,45)(H2,46,47,48)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,22-,23-,24-/m1/s1 > VPSXUNFYKJNLCS-GDDMVZOWSA-N > 1175.985462 > C27H38N6O34P6 > 1176.452992 > C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)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)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O > 575 > 1175.985462 > 0 > 73 > 12 > 0 > 0 > 0 > 0 > 1 > 27 > 1 5 255 > 47 10 6 51 11 5 49 13 6 54 14 6 52 16 5 57 17 6 50 41 5 41 62 8 41 63 8 56 42 6 42 64 8 42 65 8 58 43 5 43 66 8 43 67 8 44 62 8 44 71 8 45 64 8 45 72 8 46 66 8 46 73 8 48 59 5 53 61 6 55 60 5 63 68 8 65 69 8 67 70 8 68 71 8 69 72 8 70 73 8 $$$$