HMDB0112660 RDKit 3D PS(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -9.2822 -5.9276 1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8257 -5.7365 1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6377 -4.4409 2.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8378 -3.5397 2.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 -3.6164 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5835 -3.4487 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6671 -4.3220 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 -5.5697 0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 -5.9914 -0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 -5.3633 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -3.9558 -1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 -3.2823 -2.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -2.6191 -3.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 -2.4231 -3.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -3.0503 -4.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -2.8784 -4.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3622 -3.4943 -3.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 -3.2060 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 -3.7033 -2.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 -3.1675 -1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 -2.4827 -0.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 -3.4123 -0.1553 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1536 -2.9673 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -1.4636 1.2553 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1728 -0.7393 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3769 -0.9576 1.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6278 -0.0944 0.4678 P 0 0 0 0 0 5 0 0 0 0 0 0 7.9792 1.1489 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 -0.9949 -0.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 0.3912 1.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2957 1.5443 2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2512 2.0825 3.2689 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4723 1.1414 4.3263 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 3.3896 3.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5855 3.5643 5.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 4.3896 2.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8808 -1.0705 2.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 -0.5488 3.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -0.4179 2.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 -0.1318 4.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 0.5400 4.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0066 1.7849 3.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6207 2.4395 3.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7166 3.6667 3.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 4.4495 2.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 5.6519 2.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4409 6.5398 1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 5.8554 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1119 5.3601 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 5.7817 -1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6789 6.7755 -1.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8789 6.1593 -2.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 4.9825 -1.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5297 4.2461 -2.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7831 4.9865 -2.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7296 6.0993 -3.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 -5.0938 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3764 -6.8812 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9249 -5.9754 2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1395 -5.9480 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6456 -6.5223 2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2238 -4.2764 3.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -2.5945 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2757 -2.6566 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 -4.3989 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -2.4831 1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -4.0300 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 -6.3697 1.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9593 -5.9006 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 -7.0821 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2165 -5.9283 -2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -3.8209 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 -3.3816 -0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 -3.3743 -3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 -2.1676 -4.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.6433 -2.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 -1.2947 -3.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 -2.6436 -5.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0286 -4.1478 -4.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 -1.8340 -4.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 -3.4439 -5.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 -3.1012 -2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 -4.6001 -3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -3.5563 -4.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 -2.0856 -3.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -3.3806 -2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -4.8140 -2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1699 -3.4017 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 -3.3576 1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0573 -1.2031 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9456 0.3505 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2035 -1.0464 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 -0.7238 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2916 1.4049 2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 2.3432 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2325 2.2922 2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5410 0.1636 4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 1.3238 5.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5678 4.7298 2.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 0.5979 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 -0.9624 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 0.8187 5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2793 -0.1707 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 1.7132 2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 2.5116 4.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 2.6859 4.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 1.6924 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 3.3773 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 4.3021 3.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 4.8156 3.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 3.8375 2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 5.3403 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5197 6.2800 2.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 6.9843 2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 7.3545 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 6.4695 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 4.9380 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3225 4.6131 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 5.3686 -2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9698 7.3215 -0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2894 7.5555 -2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 6.9812 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 5.9344 -3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7079 5.2735 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5627 4.2293 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 3.7443 -3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7583 3.3725 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6064 4.2670 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1967 5.4641 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8334 7.1066 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6345 5.9862 -4.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8167 6.0464 -4.0086 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 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 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 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 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 6 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 6 33 97 1 0 33 98 1 0 36 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END