HMDB0283999 RDKit 3D PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/22:2(13Z,16Z)) 142141 0 0 0 0 0 0 0 0999 V2000 16.2891 5.1493 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8687 3.6689 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0317 2.7852 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3606 1.8822 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4821 1.6374 -1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0667 0.2382 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8550 -0.1584 -1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7016 0.8173 -1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8287 0.5595 -2.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 0.2619 -2.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6654 0.1093 -1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9911 0.3411 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0090 -0.5098 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6550 -1.9387 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5027 -2.2330 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3145 -2.6524 0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0116 -2.8829 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 -3.3136 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7536 -3.5848 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 -4.4922 -0.5856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 -2.3950 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 -1.7055 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5067 -0.5313 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 -0.2969 1.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 0.2622 -0.8287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 1.3441 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 1.1265 0.4397 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0404 0.4471 1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 0.3867 2.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1215 -0.3781 4.0070 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4818 -0.0291 4.5369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0687 0.1835 5.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -2.0423 3.8818 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 -2.7256 3.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9475 -4.2237 3.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 -4.7628 4.8379 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 0.2780 -0.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 0.7694 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 1.9572 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6729 -0.0479 -0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2251 -0.8478 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 0.0198 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7573 1.0114 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1185 0.5481 0.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3123 -0.1390 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 -0.5477 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6767 0.6315 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 1.6326 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6936 1.2230 -3.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0894 0.8454 -3.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7209 -0.2624 -2.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8390 -0.1569 -2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5892 1.1093 -1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9440 0.9244 -2.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0540 1.0814 -1.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0347 1.4759 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6598 0.4735 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0973 0.1847 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0102 1.3729 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4395 0.8816 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3460 5.7294 0.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8892 5.3245 1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8299 5.3216 -0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1164 3.5779 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3224 3.5441 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7339 2.9156 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2812 1.3078 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2315 1.7321 -2.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7542 2.4138 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8739 -0.5219 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6023 -1.2123 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9893 1.8582 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1930 0.5612 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3302 0.6283 -3.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 0.1009 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 0.9018 -2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0348 -0.8302 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2367 1.3936 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2867 -0.1662 1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5397 -2.1903 -0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5021 -2.5953 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6543 -2.0812 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 -2.8345 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7643 -2.7052 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6853 -3.4601 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1818 -4.0837 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1991 -4.6926 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 -2.7160 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5657 -1.6694 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -2.4461 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8774 -1.4241 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5516 2.1780 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 1.8232 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 2.1253 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -0.6254 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 0.9426 2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 -0.2707 4.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 -2.3418 3.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6863 -2.5511 4.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -4.7043 3.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -4.4662 2.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -4.5219 4.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 -5.8015 4.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2469 -0.7512 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 0.5857 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -1.3091 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -1.7331 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0867 -0.7096 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 0.4545 1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4831 1.8088 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 1.6779 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5645 -0.0840 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7603 1.4889 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7282 -1.0643 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0744 0.5295 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9652 -1.2184 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9693 -1.1677 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7195 0.2504 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5286 1.1531 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2044 2.4784 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4462 2.0698 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4359 2.1211 -3.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9457 0.4566 -3.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6687 1.7856 -3.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9570 0.5255 -4.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2218 -1.2390 -2.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2038 -1.0873 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0876 2.0052 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5561 1.2912 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0267 0.6314 -3.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0142 0.9030 -2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1120 1.8997 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7618 2.3695 -0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5548 0.8472 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1197 -0.5009 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4228 -0.5539 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2852 -0.3183 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7599 2.2193 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0119 1.7723 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5199 -0.1975 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1623 1.4080 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7047 0.9712 -0.8771 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 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 2 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 16 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 1 28 95 1 0 28 96 1 0 32 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 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 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M END