HMDB0053230 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 2.4035 -7.2871 -3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8173 -8.4075 -2.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 -8.0430 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 -7.9145 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4915 -8.0988 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1735 -6.8139 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 -6.1198 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9184 -6.4335 -2.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 -6.5738 -3.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 -5.7939 -3.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 -4.6894 -4.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5401 -4.8103 -6.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5975 -4.8481 -7.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 -4.7746 -6.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5944 -3.5404 -7.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 -2.6013 -6.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -2.6574 -5.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -2.5386 -4.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 -2.6670 -3.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6226 -2.5113 -3.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0698 -2.6995 -2.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -1.7733 -1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 -2.0232 0.1742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -0.5894 -1.4762 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 0.2743 -0.5667 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7971 1.6574 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 1.8569 -0.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 1.4322 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 0.7123 -1.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5547 1.8402 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2234 3.0069 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 4.1909 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 5.3258 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 5.8433 1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 5.7978 3.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 5.2075 3.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 6.2307 4.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 6.1621 5.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1399 4.9897 6.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 4.3596 6.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 4.1662 8.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 4.5598 9.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 3.2881 10.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 2.2865 9.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 1.0687 10.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3567 0.0050 9.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 0.3396 -0.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 1.1360 0.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2132 1.3590 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.8616 -0.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 2.1524 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 2.4335 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 3.2861 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8738 3.5531 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8437 4.4515 -2.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1029 3.9583 -3.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5417 2.7552 -4.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 1.4805 -3.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7679 0.7629 -3.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0456 1.0841 -4.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2745 1.2121 -3.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5250 1.0694 -2.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5771 0.7162 -0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0262 -0.5769 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3742 -0.7470 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3697 0.3277 1.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8048 0.4908 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 -7.7120 -4.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -6.7058 -2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 -6.5897 -3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 -8.5729 -3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 -9.3231 -2.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -7.8759 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -7.6380 0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -8.8093 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 -8.4900 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -6.4278 0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -5.1729 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 -7.4070 -3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 -5.6061 -3.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -7.3818 -2.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0925 -5.9341 -4.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4202 -4.3296 -4.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 -3.7850 -4.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6098 -4.8706 -6.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -4.9360 -8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -4.9293 -5.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 -5.6466 -7.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7162 -3.4206 -8.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 -1.7167 -7.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2429 -1.7903 -4.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -3.5852 -4.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 -3.3102 -5.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 -1.5187 -5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8609 -3.6836 -3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -1.8868 -2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -3.3099 -4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 -1.5239 -3.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 -2.6563 -1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8062 -3.7803 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4106 -0.1533 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6613 1.9952 -1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 2.3351 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 0.9789 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 2.1669 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5456 2.6496 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 3.2512 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6273 4.5294 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 3.9142 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1029 6.1986 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 5.0535 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1365 6.2885 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7876 6.2117 3.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 4.3989 4.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 4.8019 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 7.1242 3.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 6.9840 6.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 5.4844 7.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.2948 6.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 4.0021 6.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 3.6880 8.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 5.2465 9.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 4.9453 9.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 3.5146 10.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 2.7990 10.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 2.7297 8.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 2.0354 8.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5798 0.6720 10.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1748 1.3462 10.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 -0.0394 9.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 -0.9695 9.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3137 0.1762 8.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 -0.7187 -0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6418 0.6994 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 3.1510 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 1.5897 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.5117 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 2.9896 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9381 4.2827 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 2.8309 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 2.5822 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4129 4.0724 -0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8779 4.8144 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 5.4020 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 3.7969 -3.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 4.8316 -4.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3793 2.9825 -4.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6871 2.5698 -5.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7329 1.1000 -3.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 -0.2140 -2.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9396 2.0011 -4.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2923 0.2926 -4.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1669 1.4903 -3.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5845 1.2269 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5556 0.6342 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7643 1.5183 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0390 -1.4134 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6953 -1.7338 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8174 -0.0947 2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8774 1.2504 1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3633 1.0726 1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2886 -0.5322 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8150 0.9004 3.3043 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 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 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 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 67163 1 0 M END