HMDB0295163 RDKit 3D DG(14:0/18:3(9,11,15)-OH(13)/0:0) 103102 0 0 0 0 0 0 0 0999 V2000 -14.3648 1.5427 2.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1562 1.2294 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3771 0.1354 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2504 0.2330 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5089 -0.9688 -1.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2477 -1.3586 -2.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9020 -0.3187 -3.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2239 -1.6001 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3584 -1.7745 -0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3475 -1.9913 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5891 -0.9475 0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5146 -1.1841 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2032 -0.8200 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2296 0.6211 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0226 0.9079 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 0.6392 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 1.5058 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 1.1610 2.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 1.2886 1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 1.8863 0.0438 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 0.8204 1.3327 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 0.9701 0.2540 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3354 1.9465 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0491 1.4745 1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 -0.3920 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 -0.7463 -0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -0.4048 -1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3337 0.6675 -1.2008 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 -1.1480 -2.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 -0.8472 -2.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 -1.2086 -1.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6275 -0.6033 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -0.9935 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0527 -0.5970 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1672 0.8670 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5995 1.2318 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2297 0.4752 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6919 0.9030 -1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4782 0.6986 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4599 -0.7090 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 -0.7486 1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0909 0.7052 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8170 2.5037 2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0977 1.6874 3.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6609 2.1129 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3706 0.8070 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6686 -0.8315 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9645 1.1500 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3124 -0.7551 -2.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7707 -1.8588 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5035 -2.2311 -3.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0384 0.0669 -3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0016 -0.2239 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6532 -3.1749 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0525 -2.9165 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8356 0.0083 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5038 -2.2230 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6096 -0.5446 2.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2019 -1.4012 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3359 -1.1390 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1115 0.8762 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3342 1.2845 1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 0.4002 -1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0872 2.0269 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6444 -0.4220 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 0.7491 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 1.4871 2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3233 2.5660 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 0.0938 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 1.8010 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 1.4202 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 2.8246 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 2.3833 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 0.6158 1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -0.8001 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -1.1007 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 -2.2502 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 -0.8291 -3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 0.2492 -3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -1.3299 -3.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -2.3372 -1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8701 -0.9086 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6278 0.5018 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 -0.9427 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 -2.0668 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3454 -0.4308 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4911 -1.2505 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6512 -0.7839 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8273 1.4273 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5130 1.1832 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1310 1.0269 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6712 2.3318 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7246 0.7660 -2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1652 -0.6346 -1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6726 1.9973 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0959 0.3811 -2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5657 0.8886 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2364 1.4707 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4468 -1.0639 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9186 -1.4001 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 -0.0276 2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 -0.5100 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2610 -1.7864 1.9984 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 22 71 1 6 23 72 1 0 23 73 1 0 24 74 1 0 25 75 1 0 25 76 1 0 29 77 1 0 29 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 41103 1 0 M END