HMDB0053658 RDKit 3D TG(20:3n6/14:0/18:3(9Z,12Z,15Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -8.9835 -2.3460 -3.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5638 -1.6277 -2.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3636 -2.2338 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2379 -1.6034 -1.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0822 -0.1563 -2.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7751 0.5166 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6875 1.1929 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6425 1.3798 -1.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 2.8779 -1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 3.5550 -1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 2.9912 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1647 3.3459 -2.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 2.8515 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 3.4479 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 3.0526 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 3.6802 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 3.1793 2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 1.8003 2.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 1.5872 3.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 0.6470 2.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -0.5483 2.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 -1.8232 2.5753 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5254 -2.6445 1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -2.5688 1.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -1.5357 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 -0.6025 0.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9673 -1.3694 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5673 -2.0213 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9548 -1.7001 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -2.3826 -3.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3985 -2.2637 -4.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0842 -2.9739 -4.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 -2.7164 -6.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -2.2203 -6.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 -1.8517 -6.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 -2.6215 -6.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 -2.0624 -6.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -0.6440 -6.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0194 0.0452 -6.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 -0.3389 -5.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0636 -1.6918 -4.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -1.7262 -3.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9037 -1.1888 -2.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 -1.8413 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -1.1605 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -1.9365 2.5979 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1791 -2.6936 3.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -3.2700 4.3958 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6521 -2.7884 3.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 -3.3347 4.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -2.5762 5.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 -2.1228 6.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4638 -1.4199 7.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -0.2647 7.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 0.7434 6.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8926 1.8182 6.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 2.9123 5.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2901 3.6356 6.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 4.7492 5.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 5.4548 5.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 4.5687 5.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3674 -3.3720 -3.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0896 -2.4733 -4.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7375 -1.7575 -4.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6107 -0.5558 -2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4376 -1.8659 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4366 -3.3134 -1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3987 -2.1500 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2546 -0.1468 -2.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9866 0.3133 -2.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4836 0.4416 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 1.6866 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7082 0.9883 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 0.9829 -2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4792 3.3419 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 4.6501 -1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1518 1.9281 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 3.5325 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 2.8137 -3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1588 4.4213 -2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 3.2061 -2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.7617 -1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 4.5495 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 3.1586 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 1.9607 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 3.3482 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 4.7839 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 3.6725 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 3.4860 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 3.8330 3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 -0.3882 4.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6011 -0.5525 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.5183 3.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 -3.7410 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 -2.2928 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 -0.2642 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5639 -1.7511 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 -3.1287 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6345 -1.6541 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9239 -2.0989 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0124 -0.6095 -2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8801 -1.9955 -3.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9385 -3.4843 -2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3578 -1.2008 -4.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 -2.7551 -5.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 -4.0578 -4.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 -2.5368 -4.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5968 -2.9633 -7.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6065 -2.0643 -7.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.2741 -4.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -0.7781 -5.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -3.7319 -6.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -2.7606 -7.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 -0.1026 -6.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 -0.4669 -8.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 1.1746 -6.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6337 0.4094 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1305 -1.9913 -5.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 -2.4850 -5.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -2.7971 -3.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -1.2044 -2.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 -1.3474 -1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8233 -0.0712 -2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -1.7473 -3.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4088 -2.9223 -2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 -0.6999 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 -0.3885 -2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2842 -1.9412 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 -1.8275 3.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -3.5010 2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4122 -3.6513 4.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8557 -4.3238 4.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 -1.7398 5.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9466 -3.2630 6.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -3.0327 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 -1.4496 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -2.1195 8.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -1.1048 8.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5759 0.2725 8.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -0.6294 7.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.2660 5.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 1.1599 7.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 1.2741 6.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 2.1765 7.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 2.4025 4.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 3.5831 5.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 4.0668 7.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 2.8912 6.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 5.5102 5.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 4.3849 4.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0664 5.9167 6.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 6.3048 4.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 5.0813 5.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 3.6017 5.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 4.3330 6.8339 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 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 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 2 0 47 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 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 0 21 92 1 0 22 93 1 1 23 94 1 0 23 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 45128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 61155 1 0 M END