HMDB0045718 RDKit 3D TG(20:0/18:1(11Z)/20:1(11Z)) 181180 0 0 0 0 0 0 0 0999 V2000 -5.1256 -8.0561 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 -8.0208 0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -7.1854 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 -7.2154 2.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 -6.4187 3.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -6.4282 4.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 -5.7965 5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 -5.0143 5.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -4.4641 4.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 -2.9107 4.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0257 -2.4339 3.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2304 -0.9458 3.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 -0.4729 2.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3292 -0.5911 0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2777 -0.2151 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7651 -0.1357 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 -1.2990 -2.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6782 -1.4395 -1.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -0.4325 -1.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 -2.5875 -1.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -2.5738 -0.4692 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1499 -3.7706 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -3.7827 -2.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -2.7606 -3.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1433 -1.7776 -2.5987 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -2.8218 -4.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2817 -1.6706 -5.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 -0.3567 -5.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 0.7599 -5.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 2.0602 -5.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 2.0113 -5.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 3.3533 -5.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 3.3615 -5.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 2.7408 -4.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 1.3939 -3.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4512 0.4334 -3.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8089 0.6332 -4.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8346 0.3857 -3.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -0.9831 -2.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -1.3087 -1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -0.6561 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8153 0.8141 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1137 1.2719 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2606 2.7775 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -2.7469 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 -2.7610 1.6301 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 -1.7366 1.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -0.6645 1.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -1.8678 2.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 -0.5204 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 -0.7159 2.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 0.3737 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 1.6045 3.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 2.5227 3.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 3.0442 1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 3.9896 1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2577 5.2379 2.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1627 6.0939 1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 7.3749 2.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 7.2178 4.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 6.4467 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9551 6.9792 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1748 6.1145 3.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 4.7335 3.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2702 3.8972 3.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5274 3.7720 5.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7553 2.9062 5.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6503 -8.9279 -1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8431 -7.1390 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2378 -8.2024 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5376 -9.0448 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5775 -7.6398 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5762 -6.1807 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 -7.6589 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -8.3067 2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0067 -6.9848 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8551 -5.4389 2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 -7.0034 2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -7.5469 4.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 -6.1245 4.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -6.0425 6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -4.7089 6.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -4.6420 3.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2662 -4.7547 4.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2194 -2.4931 4.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -2.6821 5.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0401 -2.9133 3.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 -2.7531 2.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7506 -0.7051 4.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2377 -0.4367 3.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3205 0.6114 2.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0106 -1.0182 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0272 -1.6731 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4538 0.0805 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0696 -1.0382 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8150 0.7412 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 0.0002 -2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1641 0.7917 -1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5794 -2.2170 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 -1.2475 -3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3193 -1.6595 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -4.6816 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 -3.8572 -0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -2.9010 -5.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -3.7958 -5.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 -1.5990 -5.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -1.8459 -6.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6334 -0.0523 -4.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4666 -0.5035 -5.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 0.8758 -5.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9869 0.5833 -6.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 2.9210 -6.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 2.3046 -4.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 1.1883 -5.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1766 1.8257 -6.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1379 4.1139 -6.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 3.7185 -4.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 4.4301 -5.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 2.8446 -6.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 2.9887 -4.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 3.3905 -3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 1.1458 -3.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1637 -0.5671 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0085 -0.2034 -5.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0788 1.5609 -4.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8232 0.5362 -3.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.2266 -2.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9558 -1.7084 -3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6773 -1.2615 -2.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6613 -2.4469 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7753 -1.1886 -2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 -1.1655 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 -0.8883 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 1.0224 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 1.4357 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2303 1.0108 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9374 0.8432 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 3.1251 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 3.0192 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3169 3.3110 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 -1.8600 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -3.6245 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4475 -2.2041 3.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 -2.5812 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 0.1496 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4357 -0.1487 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -1.5589 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -1.2145 3.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 0.6348 2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -0.0847 3.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 2.2485 3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 1.3017 4.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 2.1959 3.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3453 3.4528 4.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 2.1265 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4123 3.3921 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 4.3088 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 3.4490 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1196 4.9292 3.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 5.7674 2.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2602 5.4642 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4656 6.3674 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 7.9017 2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2763 8.0170 2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3893 6.8239 4.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 8.2672 4.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 5.3986 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 6.3735 5.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9502 7.1505 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 7.9743 4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0412 6.6284 3.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 6.0985 5.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 4.1804 3.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 4.7975 2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 2.8579 3.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 4.3260 3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6646 4.7561 5.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 3.2748 5.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5763 1.8608 5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9796 2.8593 6.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6185 3.3630 5.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 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 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 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 1 0 59 60 1 0 60 61 1 0 61 62 1 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 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 1 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 44140 1 0 45141 1 0 45142 1 0 49143 1 0 49144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 67181 1 0 M END