HMDB0261673 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/18:3(9Z,12Z,15Z)) 124123 0 0 0 0 0 0 0 0999 V2000 -0.5206 -2.7770 7.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -1.2919 7.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -0.4546 7.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 0.5156 7.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3327 0.9059 8.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9052 2.2465 8.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 3.2374 8.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0141 3.1640 6.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 4.0716 6.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 4.9726 5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 5.2575 4.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 5.0048 3.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 3.5641 3.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4669 3.2334 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 3.4831 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 3.1337 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 1.7011 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 1.3454 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 1.5212 -1.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 0.8212 -2.6237 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 0.4498 -3.8515 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8855 1.3805 -4.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 1.3308 -4.9301 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 2.1275 -5.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 2.8708 -6.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 2.2077 -5.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 1.3105 -5.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 1.5834 -3.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 0.7095 -2.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6862 -0.2385 -1.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 -0.5292 -1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -1.9614 -2.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -2.8671 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -2.6592 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3215 -3.2996 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 -4.0774 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 -4.4701 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 -5.3068 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3633 -5.7139 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7956 -5.2657 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1597 -5.9657 0.6436 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7623 -5.6491 -1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2247 -4.7771 -2.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8385 -3.3738 -2.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 -2.9387 -3.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -1.0027 -4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -1.1663 -5.4661 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 -2.7328 -6.0351 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7166 -2.7888 -7.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4681 -3.7883 -4.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 -3.2949 -6.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -2.3462 -7.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -2.9573 -7.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -1.9269 -8.0566 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0589 -3.2008 6.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 -3.3266 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 -2.8650 8.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 -0.9843 7.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2401 -1.2852 5.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0899 -0.6746 6.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 1.0596 7.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 0.8028 9.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.1517 9.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 2.4855 9.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 4.2027 8.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 3.7189 6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 2.2293 6.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 3.9266 7.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 5.5772 6.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 6.3890 4.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 4.7965 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 5.6761 3.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6018 5.2718 2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 2.8879 3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3531 3.3537 4.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 3.7566 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 2.1281 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3801 4.5675 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6869 2.9042 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 3.8257 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 3.3925 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 1.5064 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9709 1.0747 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 0.6403 -3.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 1.0452 -5.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 2.4126 -4.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0255 2.0175 -7.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 3.2598 -5.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 1.3694 -5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 0.2533 -5.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 2.6482 -3.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 1.6334 -3.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 0.8491 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -0.8189 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 -0.2297 -0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 0.0565 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2578 -3.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 -3.8783 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 -2.9057 0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9855 -1.5354 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -3.0941 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -4.4792 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 -4.1702 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 -5.6923 1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0883 -5.1787 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3329 -6.8108 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8133 -4.2174 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 -5.7617 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1305 -6.7041 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9534 -5.0953 -3.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8191 -2.7868 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2806 -2.9763 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7405 -2.1388 -4.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0961 -3.7804 -4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -2.5308 -3.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 -1.3905 -4.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 -1.6059 -3.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 -3.5849 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 -1.5803 -6.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.9098 -7.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3848 -3.3823 -6.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 -3.7357 -8.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 -1.4625 -7.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3181 -2.3137 -8.8047 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 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 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 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 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 1 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 50118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 54123 1 0 54124 1 0 M END