HMDB0295361 RDKit 3D DG(15:0/0:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 113112 0 0 0 0 0 0 0 0999 V2000 17.3420 3.2015 -0.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2868 1.8468 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6878 0.7855 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5871 0.1392 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8175 0.3794 0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6773 -0.8356 1.5311 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9291 -1.2352 1.9181 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8244 -0.3859 2.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 -0.5168 2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7525 -0.0419 3.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4416 -0.1190 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7093 -0.7022 2.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4818 -0.8728 2.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0928 -0.8855 2.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5262 0.3774 3.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 -1.4390 1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8024 -0.6123 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0387 0.0272 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 0.0113 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -0.5387 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 0.1522 -2.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8731 1.5240 -2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 1.5475 -2.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7242 0.5864 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 -0.1264 -0.6125 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 0.4383 -1.4647 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 -0.4729 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 -0.4110 -0.8737 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2072 0.8851 -0.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 -1.4233 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 -1.3954 0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7773 -1.5487 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3633 -1.7417 -2.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2565 -1.4902 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6867 -0.0377 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4155 0.7877 -1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0477 0.4749 -2.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4862 0.5904 -3.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4674 -0.1970 -2.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8508 0.1859 -2.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9365 -0.5337 -2.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0650 -0.3085 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2562 -1.1162 -0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5658 -1.0490 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8486 0.3685 1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2037 0.4501 2.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1157 -0.0603 3.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1632 3.8349 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4114 3.7783 -0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6013 3.1542 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3860 1.5476 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9286 1.9270 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1662 0.4985 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2174 -0.6437 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7339 0.6409 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1460 1.2455 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1720 -1.6698 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0395 -2.1374 2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2793 0.0719 3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1111 -0.9797 1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 0.3967 4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9662 0.2642 4.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 -1.0863 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6233 -1.6048 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7897 -1.5681 3.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3656 0.4271 3.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3762 -1.5651 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8432 -2.4718 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9050 -0.5313 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4719 0.6271 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 0.9983 -0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -0.6709 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3226 -1.5604 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -0.2789 -3.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 2.2101 -3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 1.9709 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 1.2962 -3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 2.5785 -2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -0.2163 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0055 -1.5251 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 -0.5573 -1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 1.2428 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -1.2074 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 -2.4494 -0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5281 -2.0129 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7637 -1.9999 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6576 -0.0144 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 0.3404 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7650 1.8434 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3033 0.9381 -1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7261 -0.5394 -3.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5612 1.1950 -3.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6800 0.3812 -4.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7445 1.7047 -3.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3409 -1.2793 -2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4833 0.0003 -1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9803 1.2933 -2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8403 -0.0436 -4.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9192 -0.2023 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8287 -1.6367 -2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1266 -0.6481 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2417 0.7595 -0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1158 -0.7745 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0533 -2.1785 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4617 -1.6835 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7342 -1.4418 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9529 1.0162 1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6863 0.8099 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4754 1.5092 3.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1239 -0.1680 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1946 -1.1712 3.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2683 0.3507 4.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1100 0.2648 3.5478 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 6 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 1 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 23 78 1 0 27 79 1 0 27 80 1 0 28 81 1 6 29 82 1 0 30 83 1 0 30 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 47113 1 0 M END