10486526 -OEChem-05072413512D 128136 0 1 0 0 0 0 0999 V2000 3.4043 1.5754 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.6613 -1.9296 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.7345 3.0754 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8684 -0.3565 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.2292 2.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 -3.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5355 0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 -0.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 -1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9933 2.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 0.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 -2.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8684 3.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8684 0.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2036 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 -0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3302 -0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4981 2.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 1.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -2.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 3.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8447 -0.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 2.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4064 -2.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2511 -1.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 2.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4151 1.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8859 -4.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7217 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 3.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 -0.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 -3.5026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2734 0.7129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4224 4.6115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 -0.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3858 -5.2346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9465 1.1612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 6.2391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4681 -1.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8858 -6.1006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1712 -0.0636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 0.0754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1364 1.5754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1613 -1.0636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9592 1.8506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1364 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0024 2.0754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6613 -1.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7004 0.8847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2506 0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2292 0.0805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6562 -1.1564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9520 1.9001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7094 2.2998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7094 -0.1491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8858 -2.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3075 0.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2704 0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 3.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -2.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7345 1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8227 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 -3.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5322 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 3.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4151 0.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8858 -4.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9805 1.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1281 4.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7624 -1.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8858 -4.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4982 -0.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1884 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5284 -1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 -5.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2053 0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 -0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 1.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7363 -0.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0491 2.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 1.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 2.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8113 -1.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3557 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6752 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6545 0.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4236 -0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6432 2.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 2.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5551 -0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4706 -2.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7226 1.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8718 -0.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 -0.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7904 3.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 2.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5787 -3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -3.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 1.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 1.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -0.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 0.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1172 2.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8844 3.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3477 -1.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 -2.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0938 -0.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0232 -2.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1502 3.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2636 -0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6030 5.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8700 -2.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5058 -4.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6586 -1.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 6.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4322 6.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5758 -2.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9431 -1.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5758 -6.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5058 -6.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3317 -0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6096 0.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 1 25 2 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 2 26 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 3 27 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 24 1 0 0 0 0 4 28 2 0 0 0 0 5 49 1 0 0 0 0 5 57 1 0 0 0 0 6 50 1 0 0 0 0 6 58 1 0 0 0 0 7 51 1 0 0 0 0 7 59 1 0 0 0 0 8 52 1 0 0 0 0 8 60 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 13 61 1 0 0 0 0 14 63 1 0 0 0 0 15 62 1 0 0 0 0 16 64 1 0 0 0 0 53 17 1 6 0 0 0 17105 1 0 0 0 0 54 18 1 6 0 0 0 18106 1 0 0 0 0 55 19 1 1 0 0 0 19107 1 0 0 0 0 56 20 1 1 0 0 0 20108 1 0 0 0 0 21113 1 0 0 0 0 22114 1 0 0 0 0 23115 1 0 0 0 0 24116 1 0 0 0 0 29 69 2 0 0 0 0 30 70 2 0 0 0 0 31 71 2 0 0 0 0 32 72 2 0 0 0 0 57 33 1 1 0 0 0 33 65 1 0 0 0 0 33 69 1 0 0 0 0 58 34 1 1 0 0 0 34 66 1 0 0 0 0 34 70 1 0 0 0 0 59 35 1 6 0 0 0 35 67 1 0 0 0 0 35 71 1 0 0 0 0 60 36 1 6 0 0 0 36 68 1 0 0 0 0 36 72 1 0 0 0 0 37 69 1 0 0 0 0 37 77 2 0 0 0 0 38 70 1 0 0 0 0 38 78 2 0 0 0 0 39 71 1 0 0 0 0 39 79 2 0 0 0 0 40 72 1 0 0 0 0 40 80 2 0 0 0 0 41 77 1 0 0 0 0 41121 1 0 0 0 0 41122 1 0 0 0 0 42 78 1 0 0 0 0 42123 1 0 0 0 0 42124 1 0 0 0 0 43 79 1 0 0 0 0 43125 1 0 0 0 0 43126 1 0 0 0 0 44 80 1 0 0 0 0 44127 1 0 0 0 0 44128 1 0 0 0 0 45 49 1 0 0 0 0 45 53 1 0 0 0 0 45 81 1 1 0 0 0 46 50 1 0 0 0 0 46 54 1 0 0 0 0 46 82 1 1 0 0 0 47 51 1 0 0 0 0 47 55 1 0 0 0 0 47 83 1 6 0 0 0 48 52 1 0 0 0 0 48 56 1 0 0 0 0 48 84 1 6 0 0 0 49 61 1 0 0 0 0 49 85 1 6 0 0 0 50 62 1 0 0 0 0 50 86 1 6 0 0 0 51 63 1 0 0 0 0 51 87 1 1 0 0 0 52 64 1 0 0 0 0 52 88 1 1 0 0 0 53 57 1 0 0 0 0 53 89 1 0 0 0 0 54 58 1 0 0 0 0 54 90 1 0 0 0 0 55 59 1 0 0 0 0 55 91 1 0 0 0 0 56 60 1 0 0 0 0 56 92 1 0 0 0 0 57 93 1 0 0 0 0 58 94 1 0 0 0 0 59 95 1 0 0 0 0 60 96 1 0 0 0 0 61 97 1 0 0 0 0 61 98 1 0 0 0 0 62 99 1 0 0 0 0 62100 1 0 0 0 0 63101 1 0 0 0 0 63102 1 0 0 0 0 64103 1 0 0 0 0 64104 1 0 0 0 0 65 73 2 0 0 0 0 65109 1 0 0 0 0 66 74 2 0 0 0 0 66110 1 0 0 0 0 67 75 2 0 0 0 0 67111 1 0 0 0 0 68 76 2 0 0 0 0 68112 1 0 0 0 0 73 77 1 0 0 0 0 73117 1 0 0 0 0 74 78 1 0 0 0 0 74118 1 0 0 0 0 75 79 1 0 0 0 0 75119 1 0 0 0 0 76 80 1 0 0 0 0 76120 1 0 0 0 0 M END > 10486526 > 1 > 2580 > 28 > 12 > 4 > AAADcfB//gOAAAAAAAAAAAAAAAAAASJEiQAgQIEAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCoQCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 4-amino-1-[(1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R,28S,33R,35R,36R)-17,26,35-tris(4-amino-2-oxo-pyrimidin-1-yl)-3,9,12,18,21,27,30,36-octahydroxy-3,12,21,30-tetraoxo-2,4,7,11,13,16,20,22,25,29,31,34-dodecaoxa-3lambda5,12lambda5,21lambda5,30lambda5-tetraphosphapentacyclo[31.3.0.06,10.015,19.024,28]hexatriacontan-8-yl]pyrimidin-2-one > 4-amino-1-[(1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R,28S,33R,35R,36R)-17,26,35-tris(4-amino-2-oxo-1-pyrimidinyl)-3,9,12,18,21,27,30,36-octahydroxy-3,12,21,30-tetraoxo-2,4,7,11,13,16,20,22,25,29,31,34-dodecaoxa-3lambda5,12lambda5,21lambda5,30lambda5-tetraphosphapentacyclo[31.3.0.06,10.015,19.024,28]hexatriacontan-8-yl]-2-pyrimidinone > 4-amino-1-[(1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R,28S,33R,35R,36R)-17,26,35-tris(4-amino-2-oxopyrimidin-1-yl)-3,9,12,18,21,27,30,36-octahydroxy-3,12,21,30-tetraoxo-2,4,7,11,13,16,20,22,25,29,31,34-dodecaoxa-3λ5,12λ5,21λ5,30λ5-tetraphosphapentacyclo[31.3.0.06,10.015,19.024,28]hexatriacontan-8-yl]pyrimidin-2-one > 4-amino-1-[(1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R,28S,33R,35R,36R)-17,26,35-tris(4-amino-2-oxopyrimidin-1-yl)-3,9,12,18,21,27,30,36-octahydroxy-3,12,21,30-tetraoxo-2,4,7,11,13,16,20,22,25,29,31,34-dodecaoxa-3lambda5,12lambda5,21lambda5,30lambda5-tetraphosphapentacyclo[31.3.0.06,10.015,19.024,28]hexatriacontan-8-yl]pyrimidin-2-one > 4-azanyl-1-[(1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R,28S,33R,35R,36R)-17,26,35-tris(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,9,12,18,21,27,30,36-octakis(oxidanyl)-3,12,21,30-tetrakis(oxidanylidene)-2,4,7,11,13,16,20,22,25,29,31,34-dodecaoxa-3lambda5,12lambda5,21lambda5,30lambda5-tetraphosphapentacyclo[31.3.0.06,10.015,19.024,28]hexatriacontan-8-yl]pyrimidin-2-one > 4-amino-1-[(1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R,28S,33R,35R,36R)-17,26,35-tris(4-amino-2-keto-pyrimidin-1-yl)-3,9,12,18,21,27,30,36-octahydroxy-3,12,21,30-tetraketo-2,4,7,11,13,16,20,22,25,29,31,34-dodecaoxa-3lambda5,12lambda5,21lambda5,30lambda5-tetraphosphapentacyclo[31.3.0.06,10.015,19.024,28]hexatriacontan-8-yl]pyrimidin-2-one > InChI=1S/C36H48N12O28P4/c37-17-1-5-45(33(53)41-17)29-21(49)25-13(69-29)9-65-78(59,60)74-26-15(71-30(22(26)50)46-6-2-18(38)42-34(46)54)11-67-80(63,64)76-28-16(72-32(24(28)52)48-8-4-20(40)44-36(48)56)12-68-79(61,62)75-27-14(10-66-77(57,58)73-25)70-31(23(27)51)47-7-3-19(39)43-35(47)55/h1-8,13-16,21-32,49-52H,9-12H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H2,37,41,53)(H2,38,42,54)(H2,39,43,55)(H2,40,44,56)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-/m1/s1 > HPLJMDRYPAYXQA-ROOKQUTLSA-N > -13.1 > 1220.16514691 > C36H48N12O28P4 > 1220.7 > C1C2C(C(C(O2)N3C=CC(=NC3=O)N)O)OP(=O)(OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)OP(=O)(OCC6C(C(C(O6)N7C=CC(=NC7=O)N)O)OP(=O)(OCC8C(C(C(O8)N9C=CC(=NC9=O)N)O)OP(=O)(O1)O)O)O)O > C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)OP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)OP(=O)(OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=CC(=NC7=O)N)O)OP(=O)(OC[C@@H]8[C@H]([C@H]([C@@H](O8)N9C=CC(=NC9=O)N)O)OP(=O)(O1)O)O)O)O > 576 > 1220.16514691 > 0 > 80 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 53 17 6 54 18 6 55 19 5 56 20 5 57 33 5 33 65 8 33 69 8 58 34 5 34 66 8 34 70 8 59 35 6 35 67 8 35 71 8 60 36 6 36 68 8 36 72 8 37 69 8 37 77 8 38 70 8 38 78 8 39 71 8 39 79 8 40 72 8 40 80 8 45 81 5 46 82 5 47 83 6 48 84 6 49 85 6 50 86 6 51 87 5 52 88 5 65 73 8 66 74 8 67 75 8 68 76 8 73 77 8 74 78 8 75 79 8 76 80 8 $$$$