HMDB0289201 RDKit 3D PC(DiMe(13,5)/18:3(10,12,15)-OH(9)) 150150 0 0 0 0 0 0 0 0999 V2000 -7.3805 1.1853 6.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 1.1746 6.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 1.7392 4.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6357 1.0295 4.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 1.2140 2.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 2.4540 2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4907 3.6524 2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 4.7427 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7895 5.9652 1.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 7.1213 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5827 6.9833 -0.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 7.6465 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4665 6.6610 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0244 6.1875 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1056 5.0899 -2.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 4.5888 -3.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 3.4151 -4.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5923 3.0159 -5.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 1.7393 -5.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 1.5719 -7.2087 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 0.8620 -5.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 -0.3380 -5.3985 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6159 -1.5359 -5.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 -1.5797 -3.8657 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -2.7091 -3.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 -3.5896 -4.6122 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 -2.9998 -2.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2242 -3.4570 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -2.4715 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6206 -3.0162 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 -3.3718 1.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 -3.9459 2.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3865 -3.2651 3.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -2.9018 3.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 -2.2735 4.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -1.8633 4.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2918 -0.8454 3.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 -0.5300 3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 0.4381 2.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 1.0999 2.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 1.8807 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8526 2.7619 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 1.9261 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 0.6143 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 -0.2714 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 -1.6337 -1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 1.7296 1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 2.4198 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2869 0.8088 2.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 0.3348 2.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -0.3640 -5.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -1.5760 -5.5329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 -1.4746 -5.5072 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5219 -2.7339 -6.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 -0.1907 -6.5255 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6182 -1.1953 -4.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 -2.2588 -3.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1911 -2.0401 -2.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 -3.1408 -2.0848 N 0 0 0 0 0 4 0 0 0 0 0 0 5.6764 -4.3644 -2.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -3.4099 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4185 -2.8022 -2.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7727 0.6511 7.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 2.2414 6.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8066 0.7841 5.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4939 0.1742 6.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 1.8330 7.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6685 2.7297 4.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4747 -0.0332 4.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3331 0.3577 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9019 0.9036 2.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5519 2.4205 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9603 3.8961 3.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 4.5304 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2449 6.0581 2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 7.9732 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2747 6.3301 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8677 7.8869 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 8.5972 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5461 7.2940 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 5.9187 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 6.9991 -2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0635 5.8451 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 5.4789 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 4.2136 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7652 4.4807 -3.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 5.4388 -4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 3.6047 -4.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9991 2.5949 -3.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 2.7933 -5.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 3.8319 -6.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -0.3271 -6.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 -2.4710 -5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 -1.7171 -5.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 -3.8124 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5876 -2.1335 -2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 -4.4307 -1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -3.6669 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8331 -1.5555 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 -2.1474 -1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -3.8629 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -2.2180 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3272 -2.4944 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3264 -4.1384 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1772 -4.2981 3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -4.9849 2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 -3.8705 4.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9419 -2.3341 4.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 -2.2038 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6105 -3.8359 3.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0582 -1.4269 5.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 -3.0712 5.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2915 -1.4683 5.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -2.7834 4.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -1.1202 2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 0.1063 4.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 0.0063 4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3728 -1.4579 3.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 3.6745 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 3.0127 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 1.7041 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 2.4593 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 0.7344 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 0.0366 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 -0.3558 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 0.2049 -1.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -2.4604 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -1.7681 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 -1.6831 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 2.6221 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 3.3456 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 1.7748 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1751 -0.0965 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5108 -0.3769 3.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1507 1.2428 3.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 -0.0782 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 0.3910 -5.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 -2.3050 -4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -3.1744 -3.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 -1.8761 -1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 -1.0838 -2.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8281 -4.3492 -3.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 -4.6186 -2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2955 -5.1857 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9944 -2.4867 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 -4.1689 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 -3.8856 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 -2.8509 -3.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6872 -1.7986 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0861 -3.5883 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 22 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 49 39 2 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 22 92 1 6 23 93 1 0 23 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 46129 1 0 48130 1 0 48131 1 0 48132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 62150 1 0 M CHG 2 55 -1 59 1 M END