HMDB0048802 RDKit 3D TG(16:1(9Z)/20:2n6/18:3(9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 4.7413 -1.5037 -6.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -2.5289 -6.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 -2.5931 -4.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 -3.6745 -4.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -5.0146 -4.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -5.4247 -5.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -5.6565 -6.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 -5.5410 -7.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -4.6142 -8.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -3.7318 -8.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5661 -3.4272 -7.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -1.9184 -6.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1015 -1.4847 -5.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -0.0209 -5.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.5184 -4.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 1.9740 -3.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 2.4266 -2.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5231 3.8690 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 4.6808 -2.9421 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 4.4091 -1.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 5.8176 -1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 6.1884 -0.4868 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0075 5.9005 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2707 4.5116 -1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 3.7158 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 4.2417 0.9748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 2.2533 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.7648 -1.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 0.2553 -1.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -0.4273 -0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -1.9536 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9061 -2.4277 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 -3.9130 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -4.5452 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 -5.2368 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 -5.4905 2.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -4.8749 4.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 -3.4269 3.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0825 -2.7053 5.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 -3.0972 5.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5828 -4.4554 6.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 5.6566 0.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 6.3681 1.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 7.6313 1.8619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 5.7612 3.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 4.3250 3.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.6106 4.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 4.1778 5.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 4.1452 4.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 4.6877 5.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 4.8710 5.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 3.7721 4.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6866 3.1415 3.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 4.2198 2.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 4.2257 1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5941 3.2062 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 2.8385 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3908 1.7154 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1683 0.4264 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0693 -0.3684 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6967 0.0735 -0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 0.2468 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 1.2169 1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 -2.1057 -7.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4391 -0.9505 -7.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2279 -0.7679 -6.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 -3.4546 -6.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 -2.0775 -6.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -1.6761 -4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 -3.6170 -3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9745 -5.0294 -5.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 -5.6894 -4.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -5.5568 -4.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -6.0204 -5.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 -6.6238 -7.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 -5.4674 -7.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -4.6588 -9.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -3.0827 -9.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -3.8880 -6.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -3.5131 -7.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3982 -1.3926 -7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8998 -1.7224 -6.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -1.5347 -5.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3937 -2.0501 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 0.1489 -5.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1051 0.6107 -6.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3694 0.3749 -4.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -0.0266 -3.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 2.6223 -4.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 2.1953 -3.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 1.8226 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 2.1790 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6589 6.3298 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3894 6.1638 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6448 7.3219 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 6.3522 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 6.3887 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1147 1.7826 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8626 1.9936 -0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8438 2.3104 -2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 1.9547 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 0.0424 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 -0.0495 -2.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -0.1681 0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 -0.1444 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 -2.3506 -1.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 -2.3144 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -1.9331 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -2.0549 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -4.1772 1.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -4.2911 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9171 -4.4408 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 -5.6766 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 -6.5709 3.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 -5.0424 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6221 -5.0551 5.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 -5.4694 4.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4462 -2.9785 3.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0315 -3.2573 2.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -1.6002 4.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4254 -2.6820 5.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 -2.3478 6.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 -2.9420 4.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 -4.3707 6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5949 -4.8587 6.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 -5.1228 5.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 6.2968 3.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 5.8472 3.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 4.3308 2.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 3.7432 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 2.5488 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 3.5967 4.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 5.1967 5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 3.5267 6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 4.5879 3.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 3.0275 4.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 4.0343 6.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 5.6716 6.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2183 5.7275 4.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 5.3885 6.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0863 4.1245 4.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 2.9415 5.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4548 2.3354 3.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 2.7421 3.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0751 5.0721 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5194 5.1521 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6148 3.6940 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5324 2.3668 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7073 3.7514 -0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4095 1.6594 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1069 -0.1810 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 0.4336 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 -0.5475 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1399 -1.4369 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6223 0.9841 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 -0.7016 -1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 0.6057 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 -0.7383 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7345 2.1549 0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 1.5458 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0334 0.7849 1.9688 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 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 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 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 55146 1 0 56147 1 0 56148 1 0 57149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END