HMDB0282435 RDKit 3D PS(20:3(5Z,8Z,11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 137136 0 0 0 0 0 0 0 0999 V2000 9.2378 8.8556 3.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9671 7.5338 3.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0943 7.8091 4.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9337 7.2254 5.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3636 6.2119 4.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1335 4.9700 4.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9522 4.4312 5.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 4.9808 4.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 5.2598 5.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 4.6571 5.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 3.6542 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 2.3805 5.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 1.6817 5.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2531 2.1062 4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 1.3703 4.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 0.1339 5.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 0.1842 6.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8341 -1.0544 4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -1.2860 3.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -2.3661 2.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -3.5535 3.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4662 -4.0186 3.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6478 -4.3824 1.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7935 -4.6968 1.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6423 -4.3826 0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 -4.6680 -0.4811 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4553 -5.6995 -0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -5.8975 -2.1067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -6.2817 -3.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -6.4961 -2.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 -6.4539 -4.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -5.1971 -5.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 -4.5728 -4.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 -3.3467 -5.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4597 -3.1834 -5.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -4.1515 -5.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7624 -3.5553 -5.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -4.0393 -4.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 -5.2209 -3.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5243 -5.2502 -2.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 -4.3527 -1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 -2.9441 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -2.1498 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 -0.7096 -0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 0.1453 -1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 0.3599 -3.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 1.3458 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 1.7159 -5.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 0.5343 -5.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 -3.3765 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -2.3833 -0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6624 -0.9121 -1.6771 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5809 0.1002 -0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -0.9852 -2.5385 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9483 -0.3751 -2.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8002 0.9601 -2.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 1.4118 -3.8187 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7724 2.8287 -4.1143 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1868 1.2348 -3.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5841 0.1031 -2.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9367 2.3424 -2.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 9.5202 3.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 9.3385 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 8.6041 2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9457 7.1958 4.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6283 6.8529 3.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4604 8.5593 5.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 7.5073 5.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 5.9140 3.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5701 6.5796 3.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0153 4.5147 5.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9118 3.5015 5.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 5.9814 3.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3999 4.3100 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 5.9966 6.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 4.8656 6.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 4.0512 4.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 3.3938 3.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 2.0178 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.7963 5.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1957 3.0376 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 1.7729 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6667 -0.1547 4.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 0.5942 6.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -0.8486 4.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -1.8775 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 -0.4213 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 -2.3600 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -4.4103 2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 -3.5747 4.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -4.9806 3.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1776 -3.2715 3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 -4.9977 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -5.3830 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 -6.6504 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5974 -6.8098 -5.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 -7.2476 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 -5.4326 -6.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 -4.4595 -5.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 -4.2892 -3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2005 -5.2911 -4.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4479 -2.5431 -5.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 -2.2518 -6.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -4.1662 -6.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 -5.1751 -5.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 -2.6316 -5.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 -3.4974 -3.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -5.7095 -4.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 -6.0685 -3.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -6.2869 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -4.6328 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 -2.7101 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -2.5539 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7648 -2.4110 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -2.5706 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -0.2145 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 -0.6208 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -0.1184 -2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 1.1854 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 0.8333 -2.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -0.5329 -3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 2.2041 -3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 0.8447 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 2.4093 -5.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 2.2248 -4.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 -0.1567 -5.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 0.7974 -7.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -0.0509 -5.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -3.0121 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 -3.5919 -2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 -1.4175 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 1.2142 -3.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9157 1.5313 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 0.8468 -4.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 2.9468 -4.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5408 3.3650 -3.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 3.0901 -3.3278 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 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 26 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 57 59 1 0 59 60 2 0 59 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 6 27 94 1 0 27 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 56132 1 0 56133 1 0 57134 1 6 58135 1 0 58136 1 0 61137 1 0 M END