HMDB0276728 RDKit 3D PI(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/18:2(9Z,12Z)) 143143 0 0 0 0 0 0 0 0999 V2000 2.4846 3.9856 -0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 4.5662 -1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 4.7208 -0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 4.1278 -0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 3.2156 -1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 1.9348 -1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1675 0.8040 -1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 0.5999 -2.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 -0.3258 -3.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 -1.4864 -3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2584 -2.0209 -2.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 -3.3287 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -3.5597 -1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 -2.6155 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 -2.4220 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 -2.6969 2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -3.2019 2.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 -3.4657 4.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 -3.2659 4.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -4.4809 4.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -2.8438 6.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 -2.6306 7.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -1.5997 6.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9261 -1.9258 5.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -0.3184 6.8794 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8034 0.8023 6.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 1.3618 5.0931 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2338 0.7719 3.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 1.6088 2.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 0.9362 1.7470 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8648 2.0608 0.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8256 0.3361 2.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 -0.2629 0.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6751 -1.0167 0.1256 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6859 -0.7019 -1.3295 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9397 -0.2205 -1.7811 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 -1.8135 -2.2502 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9982 -2.2081 -2.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2037 -3.0130 -1.8994 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5387 -2.6741 -1.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 -3.4681 -0.5512 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4886 -4.0860 -0.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7076 -2.4450 0.5148 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5311 -2.6898 1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 1.7144 4.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6529 2.9847 4.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 3.8987 5.0356 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 3.4564 4.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 2.4892 4.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0581 1.6803 3.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 0.7389 3.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7973 -0.0317 2.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 0.8714 1.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 0.0607 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 -0.7501 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 -0.6094 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3144 0.4093 -2.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 1.3663 -2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 1.6078 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5634 0.9553 -4.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 0.1933 -6.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0349 1.1366 -6.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 0.4027 -7.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 -0.6422 -7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.1545 -1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 4.5319 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 2.9172 -0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 5.6205 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 4.0588 -2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 5.3868 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 4.3512 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5096 3.2198 -2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2553 3.7089 -2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 1.9603 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -0.0934 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9136 0.3570 -1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2763 1.5585 -3.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2421 0.0385 -4.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 -2.0965 -4.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -2.2188 -3.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 -1.3622 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 -4.1230 -3.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -4.5758 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 -1.6650 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -3.1240 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 -2.0362 0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -2.5214 2.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -3.4059 2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -3.8532 4.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 -2.4925 4.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 -5.1187 5.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 -3.6728 6.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 -1.9557 6.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -3.5842 7.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -2.3481 8.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 1.6249 7.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9047 0.6575 6.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 2.4242 5.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 -0.1777 3.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 0.5026 4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6436 -0.3890 3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 -0.5813 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9828 0.1426 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 -0.4179 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 -1.5222 -3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6464 -2.4367 -3.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0105 -3.8269 -2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0665 -3.5265 -1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4094 -4.3130 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 -3.5684 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 -2.6718 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5119 -3.6339 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 4.1180 5.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 4.2006 4.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 1.8012 5.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 3.0869 5.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 2.3222 2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 1.1160 3.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 -0.0207 4.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 1.2585 4.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 -0.6395 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5473 -0.7188 3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 1.6300 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 1.4789 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0765 0.6384 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 -0.7116 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -1.5357 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 -1.2436 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 0.8692 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9128 -0.1855 -2.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 1.9309 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 2.3561 -4.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 1.8057 -5.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 0.3614 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1669 -0.5642 -5.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -0.2796 -6.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 1.8942 -7.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 1.7118 -6.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 1.1253 -8.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0727 -0.0476 -8.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 -1.6241 -7.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4555 -0.6752 -7.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 -0.3954 -6.3171 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 27 45 1 0 45 46 1 0 46 47 2 0 46 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 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 43 34 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 1 28 99 1 0 28100 1 0 32101 1 0 34102 1 1 35103 1 1 36104 1 0 37105 1 6 38106 1 0 39107 1 6 40108 1 0 41109 1 1 42110 1 0 43111 1 1 44112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 63140 1 0 64141 1 0 64142 1 0 64143 1 0 M END