HMDB0053677 RDKit 3D TG(20:3n6/16:0/20:3n6) 167166 0 0 0 0 0 0 0 0999 V2000 -0.1184 3.5495 3.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 4.1743 4.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 4.8878 5.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 3.9390 6.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 4.6404 6.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0116 5.7115 6.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3111 5.7422 6.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 4.7332 6.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 4.1133 5.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0793 2.8542 5.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 1.9064 5.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 1.3057 4.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 0.0193 4.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8502 -0.9918 5.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 -1.9390 5.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 -1.3936 6.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7239 -0.5458 6.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 -1.0671 5.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 -1.7517 4.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3673 -2.0414 3.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3607 -1.3926 3.9083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 -3.0000 2.4906 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -3.1698 1.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 -4.2804 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2854 -4.2996 0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 -3.2184 -0.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 -2.8452 -1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5713 -3.5091 -1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 -1.6713 -2.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3799 -2.1570 -3.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1102 -2.9811 -3.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 -3.5185 -5.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7154 -2.6243 -6.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -1.6780 -6.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 -0.6169 -5.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 0.6493 -5.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6239 1.1051 -7.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 1.8403 -7.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 3.0587 -7.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 4.0461 -8.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 3.8490 -7.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5099 4.4393 -7.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 5.4233 -6.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 4.8457 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 4.6101 -4.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 4.0435 -3.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 2.7184 -2.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -4.3286 -0.1372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -5.4563 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -6.4042 0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 -5.6950 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -4.6426 -2.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 -5.1014 -3.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1504 -5.2515 -3.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9207 -4.0527 -2.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4528 -3.0462 -1.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6251 -2.0360 -1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -0.9489 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 -0.1300 -1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 0.9620 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 1.7825 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 2.8497 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0102 3.7013 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 2.9318 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 2.1677 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 2.4680 3.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 4.0532 3.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 3.6478 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2207 3.3664 5.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 4.9045 4.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2019 5.4176 6.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 5.6508 4.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 3.0769 6.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8351 3.5168 5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 5.1634 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 3.9512 7.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 6.5140 5.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7259 6.5878 5.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 4.0713 7.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 5.3880 7.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 4.8081 5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7628 2.4981 4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4763 2.3679 6.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 1.1772 6.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 2.0019 4.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 -0.3010 3.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 -1.6507 4.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6295 -0.6761 6.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4691 -2.5848 5.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4761 -2.6874 6.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3403 -0.8764 7.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 -2.3013 7.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 0.4644 5.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 -0.2300 7.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0355 -1.7368 6.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.2063 5.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -2.8038 4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -1.2540 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 -2.2050 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 -3.2824 2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -5.2240 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5354 -5.2810 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -4.1062 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5282 -1.2104 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 -0.9187 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2613 -1.2500 -4.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2495 -2.7076 -3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -3.9054 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -2.5360 -3.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -4.2483 -5.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -4.2524 -5.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -2.0476 -6.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 -3.2960 -7.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -2.3159 -6.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4853 -1.3564 -7.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 -0.8196 -4.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 1.4448 -4.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 0.3164 -7.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 1.8334 -7.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5851 1.2488 -7.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 3.4007 -8.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 4.5249 -9.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0011 4.9753 -7.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 3.1556 -8.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5907 4.1883 -7.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 6.3410 -6.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 5.7169 -6.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 5.5146 -3.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 3.8921 -4.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3953 3.9628 -5.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 5.5979 -4.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5215 3.9682 -3.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1086 4.7517 -2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5511 1.9163 -3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5633 2.5784 -1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 2.4695 -3.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 -6.6679 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -5.7923 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8288 -3.6441 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 -4.7964 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6562 -4.4218 -4.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3945 -6.1273 -3.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 -5.7714 -3.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -6.0132 -2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1447 -3.4417 -3.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 -4.3224 -2.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -3.4930 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 -2.4425 -2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9651 -1.7016 -2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -2.6186 -1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 -0.2484 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 -1.3675 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 0.3070 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 -0.7932 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 0.5151 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 1.5577 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9633 2.3194 -1.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 1.1512 -1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 2.3399 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 3.5163 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 4.2840 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 4.4289 0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 3.6911 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 2.2699 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 2.8088 1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 1.6127 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 1.4097 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 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 1 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 0 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 65167 1 0 M END