HMDB0284216 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 136136 0 0 0 0 0 0 0 0999 V2000 -9.4009 -5.5837 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3476 -6.1075 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9876 -5.9168 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0348 -5.2091 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2141 -4.4975 1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2347 -4.9488 2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5882 -4.1083 3.8866 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -3.9872 3.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1549 -4.1446 4.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 -5.0728 3.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 -4.7364 3.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -3.3693 3.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 -3.2832 4.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 -2.8924 4.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.5013 2.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3191 -3.4433 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 -3.1079 1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 -1.7250 1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 -1.5643 2.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2877 -1.2753 2.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5009 -1.0919 0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0433 0.2602 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2456 1.4256 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 2.0546 1.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2024 1.9370 -0.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 3.0816 0.3175 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1360 2.7677 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 2.1349 0.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 2.3694 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 3.4530 -1.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 1.4238 -1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 0.2722 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -0.5478 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3283 -1.8291 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1746 -2.6756 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3057 -3.4401 -2.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5498 -3.4619 -3.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 -2.6593 -3.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -1.9183 -4.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 -0.6496 -4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 0.4457 -3.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0709 1.2272 -4.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 1.4312 -3.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 0.9504 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 2.2016 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7979 2.4647 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9384 1.5885 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8825 1.2415 1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0121 0.3349 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9348 0.0600 3.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 -0.5934 4.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6796 4.2249 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 3.8779 -1.9053 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 5.1640 -2.9857 P 0 0 0 0 0 5 0 0 0 0 0 0 5.9887 4.5639 -4.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8416 6.2011 -2.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1198 5.9283 -3.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 7.1312 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 7.7052 -2.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6028 6.8326 -2.2418 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2820 -6.2511 -0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7513 -4.5716 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9931 -5.5050 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5651 -5.6722 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4875 -7.2320 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7877 -6.4381 -1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -5.1769 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9982 -3.4066 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2146 -4.6014 2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1987 -5.9993 2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2444 -3.0122 2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5342 -4.6024 5.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -3.1451 4.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4185 -6.1167 3.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 -5.5086 3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1665 -2.6827 4.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -2.8915 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -3.5413 5.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 -2.8277 4.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.4400 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 -2.4902 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 -4.5287 2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2113 -3.8902 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -0.9497 2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 -1.4673 0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -1.7072 3.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 -1.1646 2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 -1.4556 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3904 -1.8069 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0637 0.4190 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 0.3422 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0457 3.4379 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 2.3057 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 3.7792 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.9443 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7787 0.9682 -2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 0.7476 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -0.2540 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3509 -0.0800 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3072 -2.3606 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 -3.4749 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -2.1786 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 -4.1104 -2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -4.1438 -4.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 -3.3562 -3.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7785 -1.9422 -2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -2.5945 -5.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -0.3016 -5.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 0.0061 -2.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0738 1.1344 -3.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 1.6408 -5.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8363 2.0252 -3.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9118 0.4743 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6761 0.2537 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0546 2.9181 -0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 3.4086 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 0.7349 -0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8843 2.2167 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 0.8642 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 2.2130 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9573 -0.6081 1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9641 0.8370 1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7743 -0.6569 3.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1238 0.9965 4.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9713 -0.7440 3.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -1.5710 4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0942 0.0569 4.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9896 5.0677 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7244 4.6182 -0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5517 7.1097 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1791 7.0495 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 7.8581 -2.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 8.6502 -2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 8.0208 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 6.8459 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 5.8548 -2.5650 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 8 6 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 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 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 1 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 56130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 60136 1 0 M END