HMDB0053067 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 163162 0 0 0 0 0 0 0 0999 V2000 8.7524 4.4745 1.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3385 4.1557 1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4847 3.0976 0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 3.1951 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 4.3933 -1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 4.0105 -2.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 4.5723 -1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 5.6334 -0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 6.9503 -1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1427 7.4709 -2.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 6.8429 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 6.9204 -4.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 5.9625 -4.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 4.5517 -4.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4635 3.9139 -6.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 2.9022 -6.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2337 2.3441 -5.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 0.9615 -4.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.0039 -5.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 0.1292 -5.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 -0.8074 -6.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1052 -2.2093 -6.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -2.7174 -5.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 -3.0470 -6.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 -4.3988 -6.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9528 -4.3605 -4.5379 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8248 -5.7962 -4.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 -5.6701 -2.6068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 -6.6679 -1.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3704 -7.8074 -2.1177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 -6.3390 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 -7.3896 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4695 -6.9884 2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 -7.9578 3.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -7.9757 3.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 -7.7172 4.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 -7.3854 5.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -6.1880 6.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6213 -5.1190 6.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 -4.7782 4.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8858 -3.5693 4.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 -3.4693 3.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -4.5782 2.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 -4.2134 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 -3.0622 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8499 -2.7444 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -2.3453 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0894 -3.7164 -3.9273 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 -2.6005 -3.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 -2.2519 -2.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 -1.8719 -2.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 -0.7938 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 0.0365 -0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -0.8608 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0522 -0.0576 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 0.9433 1.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3595 0.2338 2.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6678 1.2815 3.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 1.3825 3.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 0.5273 2.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 1.4067 1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3919 1.5050 1.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 0.7856 2.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 1.7549 3.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 2.6684 2.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 3.5808 3.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 4.3533 4.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3951 4.8102 0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2410 3.5705 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 5.2648 2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8369 5.0696 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 3.7702 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9256 2.1099 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2975 2.3081 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 4.6541 -2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 5.2371 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1569 3.1985 -2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 4.1632 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 5.2406 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 5.7003 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3269 7.6619 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 8.5530 -2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 7.4834 -4.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 5.8721 -3.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 7.9484 -4.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 6.1893 -5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 4.4863 -4.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 3.9491 -3.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 4.3131 -6.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 2.4790 -7.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 2.9388 -4.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 2.3825 -5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 0.6715 -4.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 -1.0309 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 -0.2828 -4.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 1.0741 -5.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.5634 -7.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 -0.6978 -7.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -4.9189 -6.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 -4.9320 -6.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -3.8554 -4.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -6.3773 -4.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8786 -6.1919 -4.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -6.1661 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1994 -5.3895 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 -7.4216 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 -8.4015 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5838 -7.1170 2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 -5.9534 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -7.9067 4.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 -8.9837 2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 -8.2209 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -7.8076 4.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -7.6913 5.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1424 -8.2846 6.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -6.1865 7.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6083 -4.2782 6.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 -5.6157 4.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -4.5152 5.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -2.6856 4.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 -2.5187 2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -4.6938 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -5.5357 2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -3.9754 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 -5.1189 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0411 -3.4367 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -2.1902 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 -3.6405 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -1.9471 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -1.5586 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -1.9378 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -3.2264 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5646 -2.5601 -1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 -1.3817 -3.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 -1.2826 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6659 -0.1367 -2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0549 0.5251 -1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 0.8370 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4893 -1.5221 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7202 -1.4972 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7612 0.4992 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5487 -0.7649 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0773 1.4416 2.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7964 1.7145 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9566 -0.3502 3.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7486 -0.4750 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 1.9964 4.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 2.1864 4.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 0.0570 3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 -0.2629 2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2117 2.0148 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 2.1868 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 0.0215 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 0.2991 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 1.1101 4.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 2.3442 4.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 2.1345 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 3.2835 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 2.9189 4.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 4.2739 3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 5.4281 4.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6549 3.8706 5.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 4.3200 4.0481 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 1 0 45 46 1 0 46 47 1 0 26 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 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 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 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 67163 1 0 M END