HMDB0299983 RDKit 3D DG(i-20:0/20:4(6E,8Z,11Z,14Z)-OH(5S)/0:0) 125124 0 0 0 0 0 0 0 0999 V2000 -17.9941 -1.8457 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8461 -0.8243 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3745 -0.6254 -1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2734 0.3618 -1.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0656 -0.0609 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0130 0.9624 -1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4938 1.6722 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8531 1.5791 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9836 1.1731 2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7739 0.7446 2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9783 0.5633 0.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5743 -0.9056 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3163 -1.2464 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2566 -0.2689 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0085 -0.7687 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 0.1770 0.8560 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1647 1.3604 0.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 -0.4940 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7873 -1.0376 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 -0.0305 -2.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 0.9583 -2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 1.9470 -2.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8444 0.8803 -1.5621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 1.8101 -1.6596 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5682 2.5857 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 1.8894 0.7475 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 1.1623 -2.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 0.0687 -1.7099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7424 0.0785 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 1.1370 -0.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1502 -1.2531 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -1.1323 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4852 -0.5635 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -0.4798 1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8196 0.0377 1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4524 -0.8691 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6179 -2.2659 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2233 -3.2444 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5572 -3.0366 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7411 -2.9164 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8404 -1.7619 0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1368 -1.8442 1.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1916 -0.6543 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2391 0.6508 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4866 0.6918 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6409 1.9475 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5466 2.2292 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9141 3.5525 -1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4601 1.1841 -1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6437 -1.6055 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5568 -2.8613 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5719 -1.7772 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1747 0.1277 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0555 -1.2527 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0648 -1.6202 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2428 -0.2884 -2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9500 0.4693 -2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5733 1.3569 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3540 -0.2879 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6560 -1.0355 -1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6382 1.1448 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7333 2.4293 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1811 2.6760 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8880 1.0870 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4265 1.2356 3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2566 0.4804 3.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1042 1.2124 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4793 0.7187 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3784 -1.6278 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0997 -2.3232 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3916 0.7771 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 -1.8225 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 0.4446 1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6893 2.1225 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3456 -1.3266 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 0.2407 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 -1.4735 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -1.9213 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 0.4646 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 -0.5368 -3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 2.5908 -2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 3.3538 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 3.1898 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 2.4378 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1113 0.9163 -3.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 1.9541 -2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 -1.8231 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -1.7939 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 -0.5249 1.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -2.1427 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3055 0.4357 0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 -1.2045 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9851 0.2228 2.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 -1.4669 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 0.0627 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 1.0532 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -0.8307 -0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4564 -0.4488 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 -2.6221 0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9201 -2.2571 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 -4.2979 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5065 -3.3178 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 -2.2038 -1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7551 -3.9443 -1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9086 -3.9054 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 -2.8716 -0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0515 -1.6418 1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 -0.8466 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0194 -2.0257 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0595 -2.7431 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2378 -0.6979 3.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9967 -0.7336 3.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 0.8272 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2634 1.4814 2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6135 -0.2269 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3412 0.6860 1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6331 2.8093 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6109 1.8953 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5656 2.3973 -0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0030 3.6037 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4757 3.5092 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4542 4.4125 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7102 0.4110 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 1.7173 -2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4379 0.7297 -1.9699 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 1 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 6 25 82 1 0 25 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 M END