HMDB0260969 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/16:0) 128128 0 0 0 0 0 0 0 0999 V2000 -2.1107 -6.6186 -3.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 -6.6415 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 -6.0876 -0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 -5.0215 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5757 -4.2056 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 -4.2549 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 -3.6112 -0.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 -3.1615 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8994 -1.7137 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 -1.2026 -0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 -0.2002 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 0.5456 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 1.9476 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 2.9155 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6757 2.7391 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3023 3.4613 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 3.0548 -2.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 1.7496 -2.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7139 0.5266 -2.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 -0.3418 -3.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7742 -0.2513 -4.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 -0.1593 -4.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 1.1021 -4.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3688 2.0781 -4.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 1.2759 -4.5799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 2.5389 -4.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 2.5701 -4.1561 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2619 3.9955 -4.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 4.0375 -4.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 5.6318 -4.1772 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5454 5.7554 -4.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 6.6917 -4.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 6.1052 -2.5575 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 5.6611 -2.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 6.1120 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 5.5942 0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 1.7474 -3.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 0.6983 -3.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 0.4483 -4.6357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -0.1571 -2.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 -1.2084 -2.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -2.0894 -1.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 -1.2591 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -2.0638 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -2.7626 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 -3.5298 2.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 -4.2678 3.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 -3.4146 3.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 -2.3887 4.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 -2.9302 5.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 -1.7618 6.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6291 -2.1540 7.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9961 -0.8626 8.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6778 -0.1870 9.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9074 -6.4708 -4.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -5.7947 -2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -7.5725 -2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -6.1604 -2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 -7.7322 -2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -6.6004 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -4.7444 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 -3.1551 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -4.5925 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -5.2832 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 -3.3753 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -1.1407 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7564 -1.6438 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -1.6766 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 0.0796 -2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4348 0.1530 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 0.3348 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3005 2.1300 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8383 3.9465 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0936 1.7625 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0918 3.3102 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 4.6023 -1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 3.8916 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 1.6812 -2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 1.7120 -4.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 0.2112 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6727 -1.2540 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 0.5263 -5.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 -1.2508 -5.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 -0.9839 -4.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1862 -0.4085 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 2.7448 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 3.3607 -4.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 2.1933 -5.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2921 4.6643 -4.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 4.3270 -3.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 7.5962 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 6.1454 -2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 4.5450 -2.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 7.2205 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5704 5.7589 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 6.1924 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 5.6558 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.6881 -1.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 0.4915 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 -0.7907 -3.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 -1.8812 -3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7938 -2.8491 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -2.6599 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -0.4988 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -0.7968 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1139 -2.8559 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0556 -1.4015 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 -3.4568 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -2.0628 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 -4.2742 1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6913 -2.8124 2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -5.0296 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -4.7945 3.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -2.8606 3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 -4.0314 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7115 -1.8408 5.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -1.6097 4.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -3.5880 5.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6928 -3.5406 6.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -1.2743 7.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3391 -0.9775 6.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -2.7297 7.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0001 -2.8009 8.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4793 -0.2048 7.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6122 -1.0526 9.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 0.4207 8.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 -0.9535 9.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 0.5291 9.8726 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 1 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 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 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 54128 1 0 M END