HMDB0284214 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 137136 0 0 0 0 0 0 0 0999 V2000 -11.3254 1.5713 3.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6087 2.2116 1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0632 2.3262 1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6706 1.7508 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0530 0.9051 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7166 -0.4632 -0.2207 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.4491 -0.9243 1.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1941 -1.4310 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0375 -1.3638 -1.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7208 -2.4676 -2.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5807 -2.4167 -3.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5672 -1.4019 -3.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4361 -1.3890 -3.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3286 -0.4732 -3.9870 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1516 -1.3021 -4.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0929 0.5338 -2.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0295 1.5741 -2.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 2.8608 -2.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3147 3.2412 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6675 3.9815 -2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 3.5865 -1.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 2.3860 -1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 1.2333 -1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 1.3674 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 1.9029 1.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 0.9651 0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9028 1.0351 1.4946 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4328 1.7269 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 0.9556 0.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4767 1.2392 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 2.1896 0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 0.3231 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 0.0852 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -0.4564 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 -1.6271 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5699 -2.7492 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6163 -2.6460 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -2.8794 -2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9721 -3.3203 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4545 -3.6828 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -3.1605 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2828 -2.0454 -0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 -2.5141 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6397 -1.9725 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6409 -0.8653 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 -0.0492 1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4139 1.2630 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4461 2.0141 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 3.0762 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0731 4.1296 1.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5254 5.0331 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6272 4.5344 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -0.4609 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 -0.9656 0.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -2.5477 0.8465 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1181 -2.5587 0.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1852 -3.3687 -0.5907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 -3.4047 2.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -4.2985 2.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 -5.0982 3.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 -4.2075 4.8324 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6568 2.2834 4.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2395 1.4268 3.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8746 0.6008 3.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2109 3.2732 1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0722 1.6915 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6483 2.9526 2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7617 1.8888 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9700 0.7946 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3015 1.2876 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8182 -0.3654 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0705 -1.6229 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8467 -2.3047 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4015 -0.5392 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4035 -3.2845 -2.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3767 -3.2614 -4.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7195 -0.5860 -2.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3857 -2.3045 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3218 0.0210 -5.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7666 -1.2892 -3.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0142 0.8192 -2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0661 -0.0828 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0592 1.3875 -2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4114 3.6492 -2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6807 2.5934 -3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4724 4.1152 -3.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 4.9052 -1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 4.1529 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7166 2.7270 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 2.0557 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7097 0.7637 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 0.3985 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3758 1.4537 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 1.8652 2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 2.7217 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 0.8790 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 -0.6071 -1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -0.2770 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.1875 -0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4342 0.2383 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1908 -1.8500 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7927 -3.5962 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 -3.2073 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -2.3643 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 -2.6917 -3.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2052 -4.2170 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6758 -2.5493 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9854 -4.5720 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 -3.5372 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1370 -1.1200 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0471 -1.7882 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -3.3994 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6585 -2.4741 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5355 -0.1772 0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0688 -1.2921 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6877 -0.4469 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5442 1.8006 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2496 1.3912 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9192 2.4853 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3196 2.5182 2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9658 3.4839 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2001 3.6959 2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5631 4.7893 2.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9548 5.8590 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4157 5.5970 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 3.6909 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9151 5.4169 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0929 4.3680 -1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -0.4410 2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -0.9395 1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7663 -3.3451 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9436 -3.7117 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 -4.9122 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -5.6733 3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3589 -5.8461 4.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 -4.6944 5.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 -3.3499 4.5099 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 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 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 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 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 6 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 57131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 61136 1 0 61137 1 0 M END