HMDB0284692 RDKit 3D PE(DiMe(11,3)/20:3(8Z,11Z,14Z)-2OH(5,6)) 136136 0 0 0 0 0 0 0 0999 V2000 -14.1551 -1.2480 -2.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4967 -1.5566 -1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1655 -0.3379 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6992 -0.0466 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3661 1.1906 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6757 0.9635 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8548 1.0135 2.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4171 1.3249 2.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1519 2.5588 3.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6978 3.6414 2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3995 3.7642 1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9673 4.1302 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1239 3.3455 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3564 2.0594 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5949 0.8934 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8892 -0.3103 -0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1268 1.0361 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 2.2139 1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 0.5880 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5085 1.2283 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 0.7189 -2.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 1.0928 -2.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 2.2841 -2.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 0.1352 -2.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0692 0.4844 -1.6814 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1649 -0.1384 -2.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -1.4698 -2.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 -2.2356 -1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 -1.6525 -0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -3.7089 -1.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -4.1354 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 -3.4191 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -3.7348 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 -2.8867 -1.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4185 -3.0757 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6827 -2.2132 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3302 -0.7686 -0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5624 0.0779 -0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3935 -0.0473 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5935 0.8380 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8384 0.5050 -0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 1.5938 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0504 1.5945 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7476 1.8271 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2436 1.8474 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7590 2.6977 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2169 4.1212 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4914 2.2106 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2675 3.0407 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 0.3324 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 -0.9325 0.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 -1.0916 1.8857 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8341 -0.5103 2.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -0.2656 2.5988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4632 -2.7327 2.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -3.1556 2.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5939 -4.6290 3.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -5.3946 1.8393 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9865 -1.6227 -3.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0435 -0.1480 -2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1945 -1.7236 -3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5881 -1.7163 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9043 -2.4153 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3473 -0.6283 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8088 0.4994 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1101 -0.9067 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4207 0.0879 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9889 2.0552 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3377 1.4499 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7341 0.7263 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2146 0.8209 3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8120 0.5251 2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1294 1.2902 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3674 2.4987 4.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5266 4.5274 3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0109 4.6788 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6224 2.9377 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6223 5.0925 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 3.7406 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0838 2.2220 -1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4175 1.7327 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0927 0.7337 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7651 -1.0588 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8945 0.2654 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 2.3480 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 0.6623 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4345 -0.5342 -0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5063 0.8945 -2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4564 2.3131 -1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7703 1.2233 -3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 -0.3713 -3.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 1.6214 -1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 0.4790 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 0.1069 -3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -4.2526 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 -3.9663 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -5.2334 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 -3.8292 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4232 -2.3389 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -3.7649 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -4.8023 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 -3.6648 -2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1032 -3.1070 -2.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2095 -1.8171 -1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 -2.7845 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 -4.1321 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2175 -2.3527 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2405 -2.6056 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -0.5344 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7480 -0.4770 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1804 -0.1410 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2319 1.1381 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8389 0.2255 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7800 -1.0699 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3339 2.4105 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3825 0.6203 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4059 2.8350 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4674 1.0201 1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7385 1.1830 1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6553 2.8665 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5514 1.5107 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3233 4.7796 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9223 4.3354 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6176 4.4071 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5147 3.9471 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7919 3.3563 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 2.4852 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6907 1.1209 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9746 0.5711 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8668 0.5756 2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 -3.0637 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0697 -2.6343 3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -5.0319 3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7937 -4.7325 3.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 -6.2643 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -4.8515 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 42 46 2 0 46 47 1 0 46 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 48 40 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 1 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 47122 1 0 47123 1 0 47124 1 0 49125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 M END