HMDB0055537 RDKit 3D TG(20:4(8Z,11Z,14Z,17Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -8.0549 -7.7568 -8.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5731 -6.5082 -7.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1166 -6.4598 -7.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3518 -6.4969 -6.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7933 -6.5883 -5.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1993 -7.8083 -4.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3786 -7.8950 -3.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 -6.6502 -2.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 -6.6339 -2.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 -6.6212 -1.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -6.6268 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 -7.7518 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 -8.6401 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 -8.6370 0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 -8.4967 2.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 -7.5127 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6415 -6.4689 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1627 -5.0812 2.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6682 -4.1416 0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3306 -2.7579 1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2063 -1.8544 0.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1376 -2.3061 1.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 -0.9274 2.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 -0.3004 2.6482 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7435 0.0306 1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -0.7559 1.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -1.8689 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.7260 0.4766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 -2.0023 1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 -0.9064 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 -0.6469 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 0.5062 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 0.1318 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4363 1.4112 -3.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 2.2360 -2.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4209 3.4896 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 4.0897 -2.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 4.4268 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 5.6475 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 6.7824 -1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 7.3191 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 8.5217 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4654 9.5862 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 10.0803 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 10.0362 1.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 9.5000 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 8.3525 3.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 -0.7727 3.9301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6602 -0.0371 5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 1.1985 4.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3914 -0.5578 6.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -0.0495 7.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 -0.3930 6.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2112 0.0808 7.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.2221 6.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 0.3533 5.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 1.8578 5.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 2.1899 4.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 3.6634 3.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 3.9144 2.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 5.3719 2.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6712 5.6399 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0204 4.9607 0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0772 -7.5470 -8.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0487 -8.6150 -7.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3482 -7.9566 -9.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0398 -6.4172 -6.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9502 -5.6357 -8.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -6.3882 -8.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2564 -6.4544 -6.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9233 -6.7454 -5.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5871 -5.6431 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4971 -8.7516 -5.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0029 -8.8436 -3.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 -6.5511 -1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2726 -5.7135 -3.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -6.6310 -3.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5927 -6.6134 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 -6.3540 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -5.7155 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -7.8114 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -9.4394 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 -9.6929 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3213 -7.9946 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1461 -9.2754 2.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5839 -7.4887 3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 -6.5223 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7848 -6.3495 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0631 -5.1534 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -4.8591 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7733 -4.2650 0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3254 -4.4661 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0618 -0.5871 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 -0.4963 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 0.8247 2.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 0.4792 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 1.0369 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -2.9763 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -1.8554 2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -1.2494 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1776 0.0274 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -0.2965 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 -1.5142 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.2752 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5311 0.9013 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -0.3906 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 -0.4914 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 1.7711 -3.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 0.9824 -4.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5589 1.8645 -2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2832 4.0621 -1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 4.9121 -2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 3.3330 -2.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 3.6244 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 5.8822 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 6.6367 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 7.5617 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 6.6209 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 8.8345 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 9.3481 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 10.4997 -1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 10.5216 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 10.4514 2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1094 10.2675 2.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 9.1960 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 8.3160 3.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 7.3919 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 8.5711 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 -1.6938 6.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 -0.4270 7.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 1.0359 7.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -0.5920 8.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 0.0142 5.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 -1.5021 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.3673 8.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 1.1861 7.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -1.3521 6.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 0.0488 7.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0443 -0.1005 5.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 0.0809 4.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.2972 6.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 2.3048 5.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7231 1.6067 4.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1002 1.8170 3.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 4.1532 3.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5769 4.1255 4.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 3.3990 2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 3.4671 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9655 5.8714 2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 5.7732 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 5.3973 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 6.7458 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 3.9611 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6938 5.5408 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 4.7372 1.9621 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 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 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 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M END