HMDB0052683 RDKit 3D TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:2n6) 169168 0 0 0 0 0 0 0 0999 V2000 -3.5096 4.6186 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 4.8167 1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 3.8601 2.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5939 2.4312 1.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 2.0422 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 0.6209 2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0545 0.0998 1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 0.9222 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 0.7083 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3504 0.2010 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 -0.2556 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 0.5453 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 1.2158 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 1.2917 2.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6788 0.7835 2.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 1.5042 3.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.8546 3.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 2.8349 5.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 4.1001 6.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 4.5351 6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 5.5414 6.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 3.9003 5.2155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 4.1521 5.0047 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7651 4.7738 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 4.1003 2.5509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 4.6337 1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0205 5.6761 1.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 3.9841 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 4.4836 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 3.7457 -2.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 4.2545 -3.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 3.5842 -4.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 2.1074 -4.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1054 1.2995 -5.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.6581 -6.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 0.7615 -7.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 -0.6642 -7.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3339 -0.9764 -6.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 -1.4303 -5.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -1.6823 -4.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7305 -0.8548 -3.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -1.2268 -2.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2029 -0.3945 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5011 -0.7040 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 3.0626 5.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 1.7824 5.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 0.6221 5.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1075 0.7341 5.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.7391 4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.7018 4.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 -3.0725 4.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -4.0784 4.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0022 -5.4393 4.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 -5.8249 2.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -5.1840 2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1402 -5.9598 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 -5.2501 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -5.9955 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 -5.6338 -1.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7806 -4.2960 -2.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 -3.6294 -2.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 -3.2912 -4.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -3.5523 -5.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9295 -2.2658 -6.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 -2.6803 -7.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 -1.5238 -8.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -2.1014 -9.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9124 5.4853 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4542 4.5838 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 3.6832 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 4.7084 2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2929 5.8488 1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2825 4.0868 3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8774 4.0280 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4462 1.7885 2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 2.1917 0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7712 2.0993 3.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 2.7245 2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9546 -0.0642 2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9957 -0.9691 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 2.0258 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0451 0.6630 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.0029 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 0.0552 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -1.3024 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -0.3284 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 0.5538 -1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 1.7679 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 2.2535 2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 0.5496 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9159 -0.2526 2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 1.1030 3.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 3.5276 3.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 3.3157 3.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 2.4776 5.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4576 2.0428 5.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 4.8975 5.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 3.9908 7.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9264 5.0300 5.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3443 5.0137 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 5.8127 3.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 2.9035 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 4.3263 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 5.5618 -1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 4.2688 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 3.8791 -2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 2.6737 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 4.1508 -3.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 5.3357 -3.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 3.7344 -5.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6512 4.0013 -5.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 1.9567 -4.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 1.6870 -3.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 1.4175 -6.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.2477 -5.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 2.6754 -7.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6129 1.0797 -8.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 -1.2659 -8.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 -1.0723 -6.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2086 -0.8190 -7.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 -1.6153 -5.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 -1.5061 -4.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -2.7562 -3.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 0.2220 -3.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -1.0177 -2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 -0.9955 -3.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0491 -2.2920 -2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3668 -0.7340 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1067 0.6762 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4599 -0.4240 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -0.2840 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6421 -1.8238 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 3.0795 6.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 3.3176 5.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 -1.1053 5.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 -0.6881 3.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 -1.3474 4.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1548 -1.7754 6.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 -3.3915 5.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1259 -2.9698 3.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2255 -3.7777 3.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0298 -4.0573 5.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -6.1747 4.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1785 -5.7426 4.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -5.8364 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 -6.9492 2.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 -4.2079 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 -5.1070 2.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 -6.9786 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3079 -5.9687 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 -4.2178 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.2941 1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2598 -7.0629 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5669 -6.3279 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9681 -4.3369 -3.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -3.6564 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -3.3953 -2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -2.7870 -4.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -4.0085 -4.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.2100 -6.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -1.7468 -6.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4296 -1.5807 -5.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 -3.3721 -7.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0932 -3.1931 -6.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3716 -1.0510 -8.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -0.7784 -7.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -2.5694 -9.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 -2.8734 -8.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 -1.2543 -9.5632 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 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 2 0 26 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 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 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 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 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 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 1 24100 1 0 24101 1 0 28102 1 0 28103 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 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END