HMDB0042473 RDKit 3D TG(14:0/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -2.5268 -4.8211 2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -4.0588 2.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 -2.8301 1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 -3.1062 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2397 -1.7470 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 -0.8504 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 0.2999 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7024 0.7917 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 0.9640 2.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 2.0651 2.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 3.3431 2.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 4.4163 2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 5.1655 2.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 5.1845 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 6.5317 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 6.7349 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 5.8392 -1.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 5.8406 -2.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6487 4.8285 -2.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 3.4363 -2.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 2.6320 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 3.0582 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 4.1951 0.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4226 2.1235 0.5752 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 2.2666 1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 0.8813 2.1734 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3490 1.0045 3.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 1.3536 4.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5012 0.5660 5.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 -0.5460 4.5432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 0.9808 6.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 -0.1863 6.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0074 0.2332 7.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 1.2828 7.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 0.8228 6.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 -0.3785 7.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 -0.8012 5.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 0.2385 5.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 -0.4169 4.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7082 0.4951 3.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5863 -0.0329 2.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4109 -1.2269 3.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6816 -2.4933 3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 0.4697 1.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 -0.6638 0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0108 -1.2355 0.7478 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -1.1764 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -2.4069 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4054 -2.9169 -1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 -3.2800 -2.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3143 -3.7554 -3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7752 -4.1995 -5.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8591 -5.3038 -5.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4657 -5.4857 -5.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -5.2345 -4.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 -3.8523 -3.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 -3.2245 -4.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0509 -1.8841 -4.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -1.4477 -4.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 -2.2672 -4.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 -1.5470 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 -0.1855 -5.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 -0.2607 -4.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 1.0952 -4.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 1.8116 -5.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 3.1666 -4.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 4.0773 -4.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -4.2943 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -5.8372 2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 -4.9952 3.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 -3.6833 3.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 -4.7228 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 -2.2885 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 -2.1436 2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 -3.8235 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 -3.4662 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 -1.4091 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -2.0467 -1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -1.1965 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 0.9458 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7508 1.8527 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 0.3178 0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4812 0.1015 3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2438 2.0961 4.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2175 3.2742 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 3.6810 2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 4.5215 3.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 5.9038 3.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2391 4.4623 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 5.0211 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 7.3957 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 7.8620 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 6.0650 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 4.7717 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 6.8443 -2.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 5.0745 -2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 2.9706 -3.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2801 3.2793 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 1.5839 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 2.3586 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 3.0580 1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 2.4043 2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7716 0.2064 2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0615 1.8784 3.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 0.1348 3.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 1.3162 7.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 1.8241 5.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 -0.6311 6.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -0.9134 7.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4858 -0.6657 8.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6373 0.5730 8.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 2.2091 7.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 1.4435 8.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 0.5858 5.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6603 1.6892 6.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -1.2210 7.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 -0.2104 7.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.7115 6.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 -1.1438 5.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3923 0.5416 6.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 1.1090 5.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0745 -1.3233 5.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 -0.7988 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3979 0.7142 4.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2171 1.4580 3.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2766 0.7834 2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -0.2653 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1224 -1.0177 4.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0772 -1.4248 2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1999 -3.3308 2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8020 -2.8128 4.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6449 -2.5449 3.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -1.3653 -1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5344 -0.3687 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -3.1869 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4402 -2.1245 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1339 -2.1968 -2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9351 -3.8373 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7776 -4.0757 -2.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0028 -2.3260 -3.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -4.5841 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1062 -2.9505 -4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 -3.2404 -5.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 -4.3865 -5.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -5.7483 -6.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4513 -6.2289 -4.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -5.0166 -6.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -6.6410 -5.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0495 -5.6311 -3.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -5.8333 -4.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 -3.1235 -3.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 -3.9023 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -3.9382 -5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -3.2161 -5.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.1998 -4.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5874 -0.4232 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 -2.3534 -3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 -3.2732 -5.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3498 -1.3915 -6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -2.1597 -6.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 0.2581 -6.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.5243 -5.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 -0.7016 -3.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -0.9484 -4.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8928 0.9793 -3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 1.7207 -3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9128 2.0499 -5.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 1.2323 -5.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 3.5920 -5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1254 3.0461 -4.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2705 3.8690 -4.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5666 5.1459 -4.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 3.9296 -3.1406 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 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 1 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 26 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 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 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 67173 1 0 M END