HMDB0055288 RDKit 3D TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 2.6535 -3.0342 3.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -1.6461 2.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 -1.1344 2.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4826 -0.0380 3.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 0.8850 3.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 1.0281 5.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 0.7996 6.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8862 0.3340 6.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2355 1.3565 7.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 1.9059 7.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 1.6045 6.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 2.7261 5.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 2.1681 4.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7344 3.1143 2.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6523 2.5665 1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5489 3.2638 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 2.6125 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 3.0790 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 3.9410 -1.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 2.5920 -2.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7955 2.7423 -4.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 1.9392 -4.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 2.4634 -4.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 2.3965 -3.5894 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7434 2.8992 -3.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 3.3539 -4.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 2.8762 -2.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 1.8057 -2.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 0.4381 -2.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -0.6250 -2.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1335 -0.6772 -3.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8251 -0.7713 -4.9707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1791 -0.8763 -5.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0224 -0.9607 -7.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 -0.0987 -7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 1.0578 -7.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 2.2911 -8.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4383 3.2607 -7.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6023 3.2155 -5.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 4.3599 -5.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1271 5.3180 -4.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 5.4251 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 6.7685 -4.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 0.6036 -4.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9483 -0.5314 -5.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 -0.4357 -6.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1376 -1.8628 -4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -2.9624 -5.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -4.3523 -4.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 -4.8790 -3.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9304 -4.4118 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4009 -4.4557 -2.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0535 -4.1243 -0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 -5.0992 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4525 -4.7710 1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9222 -4.6033 1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7536 -4.3835 2.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7581 -5.5628 3.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4381 -5.7238 4.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9606 -4.7996 5.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6703 -3.4152 5.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4679 -2.8675 5.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 -3.5873 6.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1814 -3.5725 5.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -4.2899 5.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -5.7410 5.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 -6.4645 4.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1648 -3.7246 2.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 -3.0501 4.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -3.3804 3.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 -1.8292 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -0.9991 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 -1.7672 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 0.1815 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 0.5366 4.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 1.8981 3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 1.3879 5.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 0.9789 7.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0602 -0.6121 7.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 0.1434 5.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 1.6810 8.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6742 2.6874 8.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 0.7064 5.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 1.4466 6.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 3.6644 5.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 2.9552 4.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7316 1.9093 4.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 1.2436 3.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 4.1104 3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 3.1794 2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6968 2.7927 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6185 1.4617 1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5381 3.2405 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8823 4.3250 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 3.0005 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 1.5199 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 2.4422 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 3.8170 -4.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8767 1.9638 -5.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 1.9399 -5.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3402 3.5686 -5.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0254 3.8916 -2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 2.6927 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 1.8451 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 2.0206 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 0.3919 -3.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 0.3165 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 -1.6286 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 -0.6596 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7854 0.2369 -3.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8628 -1.5179 -3.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -1.7515 -5.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.0652 -5.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6674 -1.8257 -5.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -0.0679 -5.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4007 -1.7992 -7.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 -0.2231 -9.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 0.9286 -8.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8441 1.0119 -6.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6657 2.3710 -9.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 4.1417 -7.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6035 3.2621 -5.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 2.3196 -5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5170 4.3556 -5.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8943 6.1064 -4.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0551 4.6910 -4.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8851 5.5240 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 7.5297 -3.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 6.9368 -5.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 6.7823 -4.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -2.0542 -4.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -1.6823 -3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 -2.9095 -6.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -2.7178 -5.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 -4.7687 -5.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 -4.9453 -5.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1639 -4.7627 -3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 -6.0214 -3.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -5.1006 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -3.4027 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 -5.5112 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 -3.8176 -2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -4.1179 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8035 -3.1002 -0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 -5.2419 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 -6.1193 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 -3.7785 1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 -5.4974 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1311 -3.7802 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3092 -5.5317 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4033 -3.4440 3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8034 -4.1944 2.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1172 -6.4991 2.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5549 -6.7895 5.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 -5.2345 6.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7758 -4.8005 6.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4513 -2.7087 5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 -1.8043 5.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 -2.9199 6.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4731 -4.5582 6.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 -2.5012 4.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 -3.9471 4.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -3.8059 6.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 -4.2898 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 -6.2041 6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -5.7855 6.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8505 -6.4153 4.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5168 -7.5682 4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 -6.0891 3.7616 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 1 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 1 0 25 26 2 0 25 27 1 0 27 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 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 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 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 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 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 0 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 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 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 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