HMDB0055535 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 166165 0 0 0 0 0 0 0 0999 V2000 4.1554 -3.9690 11.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -2.7388 12.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -2.5460 11.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 -1.5100 11.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -0.3805 10.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 0.0544 9.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5218 -0.4816 8.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -1.7066 8.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -2.7343 7.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -3.2009 6.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -2.8016 5.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5129 -2.0746 4.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 -1.5938 3.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 -1.7223 3.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3222 -0.3301 3.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 0.2157 3.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -0.3444 1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 -0.4163 1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8373 0.3425 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3263 1.3010 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 1.0589 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -0.2083 -1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 -1.0935 -1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 -0.5564 -2.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0514 -1.7655 -3.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 -1.7371 -3.5914 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4740 -0.5179 -4.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3786 0.0762 -4.9482 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6719 1.2703 -5.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 1.5893 -5.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8951 2.1974 -6.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 1.8132 -6.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 2.8857 -7.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 2.5089 -7.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 2.5245 -6.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 1.4934 -5.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 0.1824 -6.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 -0.8469 -5.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 -0.8481 -4.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6033 0.2140 -3.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 0.5681 -3.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 1.7500 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 2.9685 -3.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 3.8571 -2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 5.0467 -2.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 5.6525 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 5.9492 -3.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 -1.9003 -2.3924 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -3.2552 -2.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -3.9053 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 -3.7691 -1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1988 -2.4255 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -2.5553 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 -1.1751 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -1.1794 1.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 -1.9092 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 -1.2612 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8024 -1.9931 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -2.0526 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4267 -0.7022 1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9787 0.0672 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5203 1.3851 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0796 2.2365 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0081 2.5757 -1.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 3.3454 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2790 4.6637 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 -3.9707 11.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -4.0593 10.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 -4.9087 12.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 -3.0240 13.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 -1.8871 12.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -3.3717 12.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6507 -1.5227 10.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 0.5315 11.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 -0.2798 11.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 1.0297 9.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 0.0709 7.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 -2.1377 8.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -1.3505 7.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -3.1244 7.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 -4.0015 5.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0062 -2.5322 6.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -3.8639 5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 -1.9011 4.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0164 -1.0230 2.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2288 -2.4116 4.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -2.1418 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 0.2339 4.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4579 1.2648 3.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 -1.3300 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3269 0.3286 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -1.1109 2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9301 0.2176 1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2403 1.4703 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8111 2.3218 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8933 1.2695 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3882 1.9387 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 -2.6512 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5715 -1.7622 -4.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 -2.7066 -4.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 0.3337 -3.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 -0.6580 -5.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4585 2.3498 -7.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 3.2613 -5.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 1.4341 -5.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 0.9197 -7.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3924 3.0047 -8.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 3.8705 -6.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 3.3914 -8.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 1.6822 -8.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 3.5159 -6.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 1.6724 -5.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 0.1181 -7.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8852 -0.2579 -6.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0158 -1.8661 -6.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -1.8111 -4.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 1.1210 -3.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0977 -0.1210 -2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 -0.2600 -2.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 1.9347 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4012 2.8290 -3.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 3.4221 -4.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 3.4147 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 5.6528 -1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 5.1907 -4.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2252 6.6915 -3.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 6.7100 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 6.4043 -2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 5.0162 -3.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3554 -3.7981 -2.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -3.5459 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 -5.0272 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 -3.6050 -3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7385 -4.2349 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 -4.4656 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 -1.9442 -1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -1.7240 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -3.1207 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -3.0899 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 -0.6641 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 -0.6219 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 -0.1448 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2564 -1.7155 2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6536 -1.8059 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 -2.9486 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7548 -0.1776 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -1.3332 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -3.0688 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2139 -1.6072 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6982 -2.7366 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4844 -2.5286 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2624 -0.8684 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6452 -0.1587 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -0.5504 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2454 0.2598 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3889 1.1991 1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7875 1.9715 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9066 1.7418 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4529 3.1704 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4857 3.2081 -2.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5988 1.7048 -2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1866 3.5976 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2544 2.7789 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4146 5.1421 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6441 5.3922 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0328 4.4835 0.2844 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 26 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 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 65 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 6 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 47129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 54140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 58149 1 0 59150 1 0 59151 1 0 60152 1 0 60153 1 0 61154 1 0 61155 1 0 62156 1 0 62157 1 0 63158 1 0 63159 1 0 64160 1 0 64161 1 0 65162 1 0 65163 1 0 66164 1 0 66165 1 0 66166 1 0 M END