HMDB0277876 RDKit 3D PI(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 156156 0 0 0 0 0 0 0 0999 V2000 -3.1601 2.4165 4.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 3.3949 3.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1091 4.7829 3.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 5.6494 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 5.3514 2.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9816 6.2245 0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0244 5.8958 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6698 6.0001 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 5.3554 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 5.1401 -1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 4.4863 -2.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 4.1968 -3.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 2.7466 -3.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 2.0366 -3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 2.6125 -2.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 2.0309 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 1.2218 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 0.7575 -1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 1.0201 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 -0.0565 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 -1.4231 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 -1.9965 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 -3.2824 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 -4.1099 1.7062 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -3.5890 -0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -4.6535 -0.4068 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6472 -5.5816 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 -6.4414 -1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0495 -7.2935 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6864 -7.3830 0.4145 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 -8.0877 -0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8679 -8.4633 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1402 -7.1947 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 -7.4236 2.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9994 -6.0868 3.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7045 -5.4942 3.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -4.1597 4.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3386 -3.5817 4.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -3.3582 3.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -2.1874 3.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5989 -0.9128 4.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 0.1283 3.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8644 1.2603 3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 1.6117 3.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1415 2.7607 4.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 3.6768 5.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 3.7328 4.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 5.0348 3.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 5.0862 2.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 6.3436 1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 7.6108 2.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 8.7541 1.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -4.0629 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 -3.1626 -1.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -2.3981 -1.4651 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4129 -3.0255 -0.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.7387 -1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -2.6144 -3.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.2179 -3.0867 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5582 -1.0109 -3.9782 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2522 -0.0024 -3.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -1.3066 -5.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0155 -0.3296 -6.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -2.6301 -5.8136 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3028 -2.8019 -7.1241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 -3.7094 -4.9269 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5671 -4.8593 -5.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 -3.3201 -3.4842 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0557 -4.4455 -2.7222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 2.9968 5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 1.7746 4.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0245 1.7486 4.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 3.2596 2.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 3.0724 2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 5.0762 4.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 6.6798 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0326 5.5567 2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 4.3122 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0507 7.2651 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0899 4.9275 -0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 6.3941 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 4.9626 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 5.5114 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 4.1222 -3.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 4.7888 -3.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 4.5583 -4.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 2.2241 -4.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 0.9355 -3.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 2.3791 -3.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 3.7177 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 2.2772 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.8202 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 1.3573 -2.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -0.2647 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 1.9890 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4826 0.1326 -0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7945 -1.9905 -1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 -1.6490 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 -2.2278 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6317 -1.2508 1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 -5.3546 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7808 -5.1194 -2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 -6.2728 -1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 -7.3941 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -8.9642 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -9.2000 0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 -8.9034 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 -6.5072 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -6.6590 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -7.8527 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 -8.0555 3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 -5.3775 2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 -6.2423 4.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 -6.1755 4.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 -5.3615 2.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 -4.2609 5.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 -3.4177 3.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 -2.7035 5.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 -4.3663 5.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 -4.2499 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -2.1465 2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.9834 5.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4095 -0.6635 5.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -0.1024 2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4448 1.8904 2.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3867 0.7197 4.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 1.6364 3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 2.9236 5.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5862 4.5282 5.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 2.8870 4.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2767 4.0259 5.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 5.9036 4.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 5.0132 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 4.9772 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 4.2435 1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4346 6.3119 0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 6.4041 1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 7.7729 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 7.6845 2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 9.2727 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 9.5165 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 8.4303 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -3.6336 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4181 -4.9374 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3203 -0.5098 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 -1.8969 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 -0.5983 -4.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7913 -0.3872 -2.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3891 -1.2830 -5.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9838 0.5734 -5.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7238 -2.6084 -5.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 -2.1121 -7.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3828 -3.9673 -5.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0416 -5.6610 -4.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -3.0115 -3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 -4.4915 -1.9467 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 6 8 1 0 8 9 2 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 1 0 34 35 1 0 35 36 1 0 36 37 1 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 51 52 1 0 26 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 68 59 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 22 99 1 0 22100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 57145 1 0 59146 1 1 60147 1 6 61148 1 0 62149 1 1 63150 1 0 64151 1 6 65152 1 0 66153 1 6 67154 1 0 68155 1 1 69156 1 0 M END