HMDB0054856 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) 173172 0 0 0 0 0 0 0 0999 V2000 5.9353 2.8476 -4.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4077 3.8743 -3.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6264 3.0969 -2.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 3.3292 -2.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5602 4.3808 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4611 3.7187 -3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 3.9808 -3.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 4.9917 -2.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 6.0015 -3.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 6.1889 -2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 5.4537 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 4.7468 -2.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 4.9526 -2.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 5.8939 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6824 5.2773 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9082 4.2373 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7475 3.6139 1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8982 2.5949 2.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7414 2.3477 1.9889 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3041 1.8375 3.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 0.8688 4.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0274 -0.4990 3.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1315 -1.4849 4.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4226 -2.8460 4.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5694 -3.2206 4.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 -3.8063 4.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -4.7964 3.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 -5.7194 3.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 -6.6297 2.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 -7.4816 2.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -8.2400 1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 -8.0257 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 -6.9854 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 -5.9931 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 -5.5824 -1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 -6.0143 -1.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -6.6167 -3.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 -6.0698 -3.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 -4.8393 -3.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0297 -5.0905 -4.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -4.4477 -4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -3.3687 -5.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3555 -3.7672 -7.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -2.6757 -8.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 -1.3563 -7.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 -0.3048 -8.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0757 1.2302 5.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 0.5167 6.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 0.6911 5.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6332 1.4777 4.6439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5532 0.0794 6.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 -1.1224 5.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -0.9570 4.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 -2.2291 3.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2399 -2.3872 2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -2.3254 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.5458 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -0.5296 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 0.7362 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 1.8295 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 1.9338 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 2.4397 2.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 3.5635 2.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 4.4503 2.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 4.5931 3.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 5.7243 3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 7.0323 3.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4905 7.9806 3.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 7.5296 1.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1558 7.4368 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 6.9679 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 1.8697 -4.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0168 2.6868 -4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 3.2170 -5.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3207 4.3079 -2.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 4.6611 -3.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 2.2961 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 2.7165 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1934 5.0189 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 4.9392 -3.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7112 2.9430 -4.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5455 3.4295 -4.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 4.5930 -1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 5.6017 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 6.5496 -4.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9442 6.9411 -3.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4356 4.7461 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4272 6.1861 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8903 4.0308 -3.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1946 4.3870 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1499 6.6249 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6117 6.5807 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9547 6.0743 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6525 4.8953 -0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 3.4065 -0.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9841 4.6953 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5802 3.0824 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0894 4.4190 2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4825 0.8852 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2806 -0.6480 2.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0032 -0.5121 4.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 -4.3342 5.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3764 -3.2800 4.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1077 -5.4250 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1554 -4.2455 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 -5.2283 3.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -6.3538 4.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7932 -7.2944 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -5.9880 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 -6.9212 2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 -8.1987 3.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4046 -8.9984 1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -8.5697 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -7.5374 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -6.4208 1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 -5.5698 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 -4.8393 -2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 -5.2290 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 -6.8562 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 -7.5470 -3.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9122 -6.4943 -4.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3898 -4.2564 -2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 -4.1528 -4.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 -5.8847 -3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -4.7154 -4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 -2.9478 -5.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 -2.5326 -5.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 -4.7407 -7.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 -3.8338 -7.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 -2.9907 -9.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -2.5979 -7.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 -0.9771 -6.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.4274 -8.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 0.1825 -8.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 0.4799 -8.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 -0.7518 -9.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8509 2.3413 5.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 1.1169 6.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 0.8509 6.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -0.2380 7.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -1.9976 5.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -1.3254 6.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.0878 3.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6159 -0.7327 3.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 -3.0187 3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 -2.5842 4.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -3.3872 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -1.6657 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 -3.0629 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7718 -1.6010 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 -0.5625 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 -0.8413 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 0.7104 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 2.7813 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 0.9542 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 2.6235 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 1.7912 2.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 3.8317 3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 4.1353 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 5.4444 2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 3.6883 3.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 5.7147 4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 7.4978 4.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5608 7.0012 2.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 8.9985 2.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 8.0902 3.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 8.1847 1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 6.4929 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 8.4315 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3339 6.7857 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 7.1543 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 5.8577 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 7.4717 -0.7513 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 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 21 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 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 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 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END