16151360 -OEChem-05181320472D 138177 0 1 0 0 0 0 0999 V2000 9.0758 -2.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5211 -1.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 1.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5523 0.2892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 2.4252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7503 -0.5786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6363 1.1526 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8738 0.8302 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8673 0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6513 -0.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6430 1.4676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8494 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6268 0.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 -0.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 -2.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 2.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2503 1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 -0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9873 0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5945 -1.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 2.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2628 -2.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 2.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1536 1.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4331 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 2.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9304 -2.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5639 -1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2712 3.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 -2.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6062 -4.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 3.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2186 -0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7572 -4.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5410 4.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7655 2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2554 3.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4857 -4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 3.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3953 1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3655 -3.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5994 4.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2029 3.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -1.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5108 -6.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 5.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3841 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9111 -5.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8649 5.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9285 1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 1.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3286 -2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5467 3.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5392 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 -2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1152 -1.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3785 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2698 -2.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1904 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9623 -1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9854 4.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 3.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 -2.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 -2.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 -0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1020 -0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0909 1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 4.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7201 4.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 4.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2823 -2.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8103 -3.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8132 -3.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5413 -1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9139 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1352 -2.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9028 1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 5.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 5.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4861 5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 3.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8143 1.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1301 -2.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4436 6.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 -4.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 -4.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -5.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9816 -5.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 -3.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0016 -2.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -1.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 -1.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1637 -0.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2123 -0.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9344 -2.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5257 1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 4.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 4.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 4.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1091 2.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 -3.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5607 -3.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4790 0.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1582 -1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8411 2.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8803 -3.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7657 5.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7285 5.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 3.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 6.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4921 -3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3177 1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4304 4.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5856 6.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0531 -4.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 -4.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 -6.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7274 -6.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 73 1 0 0 0 0 2 36 1 0 0 0 0 2 74 1 0 0 0 0 3 35 2 0 0 0 0 4 36 2 0 0 0 0 11 5 1 1 0 0 0 5 71 2 0 0 0 0 12 6 1 6 0 0 0 6 72 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 24 2 0 0 0 0 18 28 1 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 21 29 2 0 0 0 0 21 31 1 0 0 0 0 22 30 2 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 29 1 0 0 0 0 25 37 2 0 0 0 0 26 30 1 0 0 0 0 26 38 2 0 0 0 0 27 31 2 0 0 0 0 27 39 1 0 0 0 0 28 32 2 0 0 0 0 28 40 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 41 1 0 0 0 0 32 42 1 0 0 0 0 33 38 1 0 0 0 0 33 43 2 0 0 0 0 34 37 1 0 0 0 0 34 44 2 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 39 43 1 0 0 0 0 39 49 2 0 0 0 0 40 44 1 0 0 0 0 40 50 2 0 0 0 0 41 49 1 0 0 0 0 41 51 2 0 0 0 0 42 50 1 0 0 0 0 42 52 2 0 0 0 0 43 53 1 0 0 0 0 44 54 1 0 0 0 0 45 51 1 0 0 0 0 45 55 2 0 0 0 0 46 52 1 0 0 0 0 46 56 2 0 0 0 0 47 54 2 0 0 0 0 47 55 1 0 0 0 0 48 53 2 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 58 1 0 0 0 0 51 59 1 0 0 0 0 52 60 1 0 0 0 0 53 61 1 0 0 0 0 54 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 61 1 0 0 0 0 57 65 2 0 0 0 0 58 62 1 0 0 0 0 58 66 2 0 0 0 0 59 63 2 0 0 0 0 59 65 1 0 0 0 0 60 64 2 0 0 0 0 60 66 1 0 0 0 0 61 68 2 0 0 0 0 62 67 2 0 0 0 0 63 67 1 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 70 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 71 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 72 78 1 0 0 0 0 73 79 1 0 0 0 0 73109 1 0 0 0 0 73110 1 0 0 0 0 74 80 1 0 0 0 0 74111 1 0 0 0 0 74112 1 0 0 0 0 75 82 2 0 0 0 0 75 84 1 0 0 0 0 76 81 2 0 0 0 0 76 83 1 0 0 0 0 77 85 2 0 0 0 0 77 87 1 0 0 0 0 78 86 2 0 0 0 0 78 88 1 0 0 0 0 79 89 2 0 0 0 0 79 90 1 0 0 0 0 80 89 1 0 0 0 0 80 91 2 0 0 0 0 81 93 1 0 0 0 0 81114 1 0 0 0 0 82 94 1 0 0 0 0 82113 1 0 0 0 0 83 95 2 0 0 0 0 83115 1 0 0 0 0 84 96 2 0 0 0 0 84116 1 0 0 0 0 85 97 1 0 0 0 0 85117 1 0 0 0 0 86 98 1 0 0 0 0 86118 1 0 0 0 0 87 99 2 0 0 0 0 87119 1 0 0 0 0 88100 2 0 0 0 0 88120 1 0 0 0 0 89121 1 0 0 0 0 90 92 1 0 0 0 0 90105 2 0 0 0 0 91 92 1 0 0 0 0 91122 1 0 0 0 0 92106 2 0 0 0 0 93102 2 0 0 0 0 93124 1 0 0 0 0 94101 2 0 0 0 0 94123 1 0 0 0 0 95102 1 0 0 0 0 95126 1 0 0 0 0 96101 1 0 0 0 0 96125 1 0 0 0 0 97104 2 0 0 0 0 97127 1 0 0 0 0 98103 2 0 0 0 0 98128 1 0 0 0 0 99104 1 0 0 0 0 99130 1 0 0 0 0 100103 1 0 0 0 0 100129 1 0 0 0 0 101132 1 0 0 0 0 102131 1 0 0 0 0 103133 1 0 0 0 0 104134 1 0 0 0 0 105107 1 0 0 0 0 105135 1 0 0 0 0 106108 1 0 0 0 0 106136 1 0 0 0 0 107108 2 0 0 0 0 107137 1 0 0 0 0 108138 1 0 0 0 0 M END > 16151360 > 0 > 7170 > 6 > 0 > 6 > AAADceB/OAAAAAAAAAAAAAAAGDAAAQIECBAwYMGDBAgAAADBVAAAHgAAAAAADoihmAIwCMIABACoAyDyDAACAAAgAAAIiAGgCJgKJrKAsRiDMAAkwAEIqAeY6PiPwAACAAAQAACAAAQAACAAAAAAAAAAAA== > InChI=1S/C102H30N2O4/c105-95-101(103-93(30-15-5-1-6-16-30)31-17-7-2-8-18-31)97-85-73-65-57-49-41-38-37-39-44-48-42(37)50-46-40(38)43-47(41)59(65)67-61-52(43)56-54(46)64-58(50)66-60(48)68-62-51(44)55-53(45(39)49)63(57)77(85)79-69(55)72(62)82-83(89(79)97)92-91-84-81(87(75(67)73)99(91,97)101)71(61)70(56)80-78(64)86-74(66)76(68)88(82)100(92)98(86,90(80)84)102(100,104-94(32-19-9-3-10-20-32)33-21-11-4-12-22-33)96(106)108-28-35-26-29(27-107-95)25-34-23-13-14-24-36(34)35/h1-26H,27-28H2/t97?,98?,99?,100?,101-,102+/m0/s1 > KFVWBAKOZDMFQD-PXPMFADISA-N > 23.5 > 1347.223912 > C102H30N2O4 > 1347.3406 > C1C2=CC3=CC=CC=C3C(=C2)COC(=O)C4(C56C47C8=C9C2=C3C4=C%10C2=C2C%11=C%12C%13=C%14C%15=C%16C%13=C%13C%11=C%10C%10=C%13C%11=C%16C%13=C%16C%11=C%11C%10=C4C4=C%11C%10=C%16C%11=C%16C%10=C%10C4=C3C8=C%10C5=C%16C3=C4C%11=C%13C%15=C4C4=C%14C58C%12(C2=C9C7=C5C4=C63)C8(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)N=C(C1=CC=CC=C1)C1=CC=CC=C1 > C1C2=CC3=CC=CC=C3C(=C2)COC(=O)[C@]4(C56C47C8=C9C2=C3C4=C%10C2=C2C%11=C%12C%13=C%14C%15=C%16C%13=C%13C%11=C%10C%10=C%13C%11=C%16C%13=C%16C%11=C%11C%10=C4C4=C%11C%10=C%16C%11=C%16C%10=C%10C4=C3C8=C%10C5=C%16C3=C4C%11=C%13C%15=C4C4=C%14C58C%12(C2=C9C7=C5C4=C63)[C@]8(C(=O)O1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)N=C(C1=CC=CC=C1)C1=CC=CC=C1 > 77.3 > 1346.220557 > 0 > 108 > 2 > 4 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 22 3 100 103 8 105 107 8 106 108 8 107 108 8 13 14 8 13 20 8 14 19 8 15 19 8 15 25 8 16 20 8 16 26 8 17 23 8 17 27 8 18 24 8 18 28 8 19 24 8 20 23 8 21 29 8 21 31 8 22 30 8 22 32 8 23 33 8 24 34 8 25 29 8 25 37 8 26 30 8 26 38 8 27 31 8 27 39 8 28 32 8 28 40 8 29 45 8 30 46 8 31 41 8 32 42 8 33 38 8 33 43 8 34 37 8 34 44 8 37 47 8 38 48 8 39 43 8 39 49 8 40 44 8 40 50 8 41 49 8 41 51 8 42 50 8 42 52 8 43 53 8 44 54 8 45 51 8 45 55 8 46 52 8 46 56 8 47 54 8 47 55 8 48 53 8 48 56 8 49 57 8 11 5 5 50 58 8 51 59 8 52 60 8 53 61 8 54 62 8 55 63 8 56 64 8 57 61 8 57 65 8 58 62 8 58 66 8 59 63 8 59 65 8 12 6 6 60 64 8 60 66 8 61 68 8 62 67 8 63 67 8 64 68 8 65 69 8 66 70 8 67 70 8 68 69 8 69 70 8 7 17 3 75 82 8 75 84 8 76 81 8 76 83 8 77 85 8 77 87 8 78 86 8 78 88 8 79 89 8 79 90 8 8 18 3 80 89 8 80 91 8 81 93 8 82 94 8 83 95 8 84 96 8 85 97 8 86 98 8 87 99 8 88 100 8 9 21 3 90 105 8 90 92 8 91 92 8 92 106 8 93 102 8 94 101 8 95 102 8 96 101 8 97 104 8 98 103 8 99 104 8 $$$$