37510 -OEChem-05052419212D 157156 0 1 0 0 0 0 0999 V2000 8.0739 18.5343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4199 17.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4236 19.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 21.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 13.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 11.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7940 6.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5259 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6603 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1240 12.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2584 12.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3924 7.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 16.7737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3496 15.1643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 16.9690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 15.4690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 1.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 10.9327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 6.2763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.3129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 12.3129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5263 12.3129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6119 18.0316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6136 19.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6603 17.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6631 19.3423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3557 20.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 16.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9332 15.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 15.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 14.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 16.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 11.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 6.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 1.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9280 10.9327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9280 6.2763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9280 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 9.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 11.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 9.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 6.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 5.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 11.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5263 11.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 9.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5263 9.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5259 10.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6603 10.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 10.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3924 10.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5259 9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6603 9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3924 9.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 12.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3924 12.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3919 8.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5263 8.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 13.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3924 13.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5138 17.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 18.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0477 17.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 19.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9748 20.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8078 20.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9867 17.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9896 19.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5532 15.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 17.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 21.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1344 16.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6635 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 11.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6635 11.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 7.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6635 7.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 11.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 6.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 9.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 9.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 9.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3080 5.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 4.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 5.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 11.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 11.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 10.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 9.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 9.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 9.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 7.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 7.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0199 6.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 5.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 4.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 5.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 11.1227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 6.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 11.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1234 11.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 11.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7949 11.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9293 11.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 9.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1234 9.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 9.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7949 9.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9293 9.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 12.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8550 12.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9894 12.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 13.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 13.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8780 13.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2580 14.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 13.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0124 13.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3924 14.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7724 13.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5259 7.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6603 7.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 28 2 1 1 0 0 0 2 86 1 0 0 0 0 29 3 1 1 0 0 0 3 87 1 0 0 0 0 4 32 1 0 0 0 0 4 90 1 0 0 0 0 5 36 2 0 0 0 0 6 41 1 0 0 0 0 6128 1 0 0 0 0 7 42 1 0 0 0 0 7129 1 0 0 0 0 8 43 1 0 0 0 0 8130 1 0 0 0 0 9 74 1 0 0 0 0 9155 1 0 0 0 0 10 75 1 0 0 0 0 10156 1 0 0 0 0 11 76 1 0 0 0 0 11157 1 0 0 0 0 12 71 2 0 0 0 0 13 72 2 0 0 0 0 14 73 2 0 0 0 0 15 74 2 0 0 0 0 16 75 2 0 0 0 0 17 76 2 0 0 0 0 30 18 1 6 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 34 2 0 0 0 0 19 35 1 0 0 0 0 20 33 1 0 0 0 0 20 37 1 0 0 0 0 20 89 1 0 0 0 0 21 36 1 0 0 0 0 21 37 2 0 0 0 0 22 38 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 39 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 40 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 71 1 0 0 0 0 25143 1 0 0 0 0 26 54 1 0 0 0 0 26 72 1 0 0 0 0 26144 1 0 0 0 0 27 55 1 0 0 0 0 27 73 1 0 0 0 0 27145 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 80 1 0 0 0 0 29 31 1 0 0 0 0 29 81 1 0 0 0 0 30 82 1 0 0 0 0 31 32 1 6 0 0 0 31 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 35 2 0 0 0 0 34 88 1 0 0 0 0 35 36 1 0 0 0 0 37 91 1 0 0 0 0 38 41 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 42 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 43 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 44 1 0 0 0 0 41 98 1 0 0 0 0 42 45 1 0 0 0 0 42 99 1 0 0 0 0 43 46 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 45106 1 0 0 0 0 46107 1 0 0 0 0 46108 1 0 0 0 0 46109 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 47112 1 0 0 0 0 48113 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 49116 1 0 0 0 0 49117 1 0 0 0 0 49118 1 0 0 0 0 50119 1 0 0 0 0 50120 1 0 0 0 0 50121 1 0 0 0 0 51122 1 0 0 0 0 51123 1 0 0 0 0 51124 1 0 0 0 0 52125 1 0 0 0 0 52126 1 0 0 0 0 52127 1 0 0 0 0 53 59 2 0 0 0 0 53 62 1 0 0 0 0 54 60 2 0 0 0 0 54 63 1 0 0 0 0 55 61 2 0 0 0 0 55 64 1 0 0 0 0 56 65 2 0 0 0 0 56 68 1 0 0 0 0 56 74 1 0 0 0 0 57 66 2 0 0 0 0 57 69 1 0 0 0 0 57 75 1 0 0 0 0 58 67 2 0 0 0 0 58 70 1 0 0 0 0 58 76 1 0 0 0 0 59 65 1 0 0 0 0 59131 1 0 0 0 0 60 66 1 0 0 0 0 60132 1 0 0 0 0 61 67 1 0 0 0 0 61133 1 0 0 0 0 62 68 2 0 0 0 0 62134 1 0 0 0 0 63 69 2 0 0 0 0 63135 1 0 0 0 0 64 70 2 0 0 0 0 64136 1 0 0 0 0 65137 1 0 0 0 0 66138 1 0 0 0 0 67139 1 0 0 0 0 68140 1 0 0 0 0 69141 1 0 0 0 0 70142 1 0 0 0 0 71 77 1 0 0 0 0 72 78 1 0 0 0 0 73 79 1 0 0 0 0 77146 1 0 0 0 0 77147 1 0 0 0 0 77148 1 0 0 0 0 78149 1 0 0 0 0 78150 1 0 0 0 0 78151 1 0 0 0 0 79152 1 0 0 0 0 79153 1 0 0 0 0 79154 1 0 0 0 0 M END > 37510 > 1 > 658 > 21 > 13 > 14 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWJAAAAwYMEAAAAAAEAB1AAAHgAQCAAADBzhngY3+JfMFgCoAyfzfACCgC03EqAJ2IGofMiLfjrA3bGecYhv1APb2ef4+SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one;1-(dimethylamino)propan-2-ol > 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one;1-(dimethylamino)-2-propanol > 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one;1-(dimethylamino)propan-2-ol > 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one;1-(dimethylamino)propan-2-ol > 4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol;9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one > 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one;1-(dimethylamino)propan-2-ol > InChI=1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1 > YLDCUKJMEKGGFI-QCSRICIXSA-N > 1114.55464106 > C52H78N10O17 > 1115.2 > CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O > CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O > 399 > 1114.55464106 > 0 > 79 > 4 > 3 > 0 > 0 > 0 > 7 > -1 > 1 5 255 > 30 18 6 18 33 8 18 34 8 19 34 8 19 35 8 28 2 5 20 33 8 20 37 8 21 36 8 21 37 8 29 3 5 31 32 6 33 35 8 35 36 8 53 59 8 53 62 8 54 60 8 54 63 8 55 61 8 55 64 8 56 65 8 56 68 8 57 66 8 57 69 8 58 67 8 58 70 8 59 65 8 41 6 3 60 66 8 61 67 8 62 68 8 63 69 8 64 70 8 42 7 3 43 8 3 $$$$