HMDB0261073 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/16:1(9Z)) 126126 0 0 0 0 0 0 0 0999 V2000 11.6667 -2.6052 -4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8311 -1.6359 -4.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4764 -2.1694 -3.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9111 -2.4583 -2.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3164 -2.3830 -1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5638 -1.8293 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9401 -0.5129 -0.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7524 -1.0682 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6601 -0.4058 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2665 0.2549 2.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9653 -0.0496 3.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9809 -1.0876 3.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 -0.5355 4.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6139 -0.4843 4.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0745 -1.0176 3.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0735 -2.0578 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8278 -1.9309 3.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.8519 2.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 0.3185 1.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 1.5280 2.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8067 1.8275 3.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7782 3.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 2.4993 2.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 3.3917 2.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 1.4305 1.7666 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7005 1.1591 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 1.9281 -0.3512 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4621 3.3955 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3873 3.8753 -1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 5.5113 -1.6784 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6075 5.9305 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 5.8409 -2.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 6.4791 -1.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 6.4913 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 7.4544 -1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 7.4518 -0.1161 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 1.6952 -1.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 1.0393 -2.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 0.5783 -2.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 0.9043 -2.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3918 1.5294 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7023 0.9477 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0867 -0.4661 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -0.9667 -1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 -0.8989 -2.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8494 -1.5328 -3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9441 -2.9332 -2.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8228 -3.3489 -2.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8231 -2.5607 -1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6481 -2.7084 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8521 -4.1480 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2113 -4.6658 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3460 -3.9117 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3344 -3.9136 2.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0123 -3.1850 -5.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2013 -3.3075 -4.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3914 -1.9582 -5.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7612 -0.6402 -4.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3662 -1.5129 -3.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 -2.3418 -4.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 -2.8729 -2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -3.4615 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4076 -1.8967 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 -2.5448 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6983 -1.2192 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2701 0.4531 0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 -1.0281 1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0179 1.0461 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 0.4862 4.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 -1.7892 3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5782 -1.7516 4.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1969 -0.1070 5.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9325 -0.0339 5.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 -0.2399 2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 -1.5914 2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3898 -3.0025 3.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 -2.8257 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -1.3622 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 -0.6255 2.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 0.2506 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1273 2.3898 1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 0.8979 4.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 2.3119 4.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2624 3.0395 4.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 3.8040 3.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 1.2369 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 0.0398 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1236 1.4755 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 3.6672 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 3.9255 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 6.7894 -3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 6.8509 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7933 5.4817 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 8.4818 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0012 7.1468 -2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 7.1820 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2098 6.7564 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 -0.1723 -3.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 1.4090 -3.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2573 1.6605 -2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 2.6288 -2.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5554 1.5677 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 1.1090 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -1.1149 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1499 -0.8361 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4059 -2.0565 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2412 -0.5204 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6949 -1.4840 -3.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 0.0844 -3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0463 -1.4200 -4.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5791 -0.8868 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2375 -3.6842 -3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8009 -4.4311 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7200 -1.4926 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8344 -2.8994 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2816 -2.0061 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5890 -2.4518 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7009 -4.2016 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1084 -4.8240 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3755 -4.8425 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2459 -5.7122 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3110 -2.8239 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3373 -4.3115 0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9422 -3.0437 2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3438 -3.9478 2.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9328 -4.8129 2.7792 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 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 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 8 6 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 6 28 89 1 0 28 90 1 0 32 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 54126 1 0 M END