HMDB0116772 RDKit 3D PS(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -0.8505 -11.0014 -1.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 -10.7442 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -9.3202 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6286 -8.5635 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6278 -9.1810 1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -9.0982 2.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 -8.5331 3.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 -7.8329 3.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 -6.4251 4.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3146 -5.3848 3.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -5.2971 2.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 -4.5138 1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 -3.9276 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 -3.8691 2.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -4.3282 1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -4.4137 2.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -4.6636 2.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 -3.4963 1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7034 -3.6547 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -2.3594 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -1.5974 0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3259 -2.0368 -0.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 -0.7916 -1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 -0.6538 -2.7847 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2000 -1.5394 -3.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 -2.8889 -3.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -3.8024 -4.8341 P 0 0 0 0 0 5 0 0 0 0 0 0 5.4025 -5.0616 -4.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9237 -2.7938 -5.5998 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -4.0437 -5.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -4.8136 -5.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 -4.9285 -6.5105 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1704 -5.5629 -7.6033 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -3.5495 -6.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4971 -3.1143 -8.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3385 -2.7143 -6.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 0.7099 -3.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 1.4549 -3.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 0.8257 -2.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5225 2.8695 -3.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 3.5010 -3.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 3.3713 -2.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 4.1060 -2.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 3.7826 -0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 4.5221 -0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 6.0037 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 6.7069 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 8.1614 -0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 8.6636 0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 8.3617 2.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7204 7.0021 2.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0923 6.4784 3.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 7.2419 4.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8097 6.6569 4.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 6.6226 3.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0568 7.9958 2.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7198 7.8988 1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 7.2654 1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 7.2231 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0623 6.6083 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 -10.8884 -2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -10.1725 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 -12.0009 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 -11.2155 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -11.2967 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -8.8843 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 -7.4970 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -8.5060 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0039 -10.1571 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2299 -9.5892 3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -8.5872 4.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5075 -7.8285 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8215 -8.3351 4.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6372 -6.2068 5.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -4.3655 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 -6.2803 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8486 -4.8382 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 -4.3920 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5154 -3.3739 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 -4.5994 3.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 -2.8468 2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -5.3146 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -3.5876 1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5175 -3.4656 3.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -5.2207 3.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 -4.8442 3.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8348 -5.6033 1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -2.5982 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5946 -3.1653 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4173 -3.7692 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7238 -4.5129 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4403 0.0537 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 -0.8267 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -0.8992 -2.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 -1.3025 -4.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 -1.3620 -4.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 -3.3164 -6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 -4.1908 -4.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 -5.7875 -4.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 -5.5034 -6.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7311 -6.4149 -7.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -4.8992 -8.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 -2.6863 -6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 3.4458 -2.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 3.0123 -4.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 4.6165 -3.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 3.1704 -4.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2408 2.3509 -1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 3.8547 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 3.8869 -3.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 5.1895 -2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 4.0021 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 2.6986 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 4.3337 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4157 4.1580 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 6.2061 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1495 6.3516 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 6.6283 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7462 6.2357 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9413 8.5710 -0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 8.6121 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 9.8093 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 8.3581 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 9.0588 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 8.8151 2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 6.2976 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 5.3870 3.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 7.2436 5.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1569 8.2862 4.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 5.6431 5.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 7.3111 5.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 6.1303 3.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 6.0634 2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8547 8.5787 2.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 8.5455 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 7.2278 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 8.8868 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 7.9217 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0795 6.2709 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0142 6.5653 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 8.2191 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 6.6627 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7196 7.0940 0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 5.5125 0.3587 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 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 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 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 31 98 1 0 31 99 1 0 32100 1 1 33101 1 0 33102 1 0 36103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M END