HMDB0007056 RDKit 3D DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 102101 0 0 0 0 0 0 0 0999 V2000 14.1646 0.9590 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8683 1.2542 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1695 2.3444 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0046 2.2704 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0853 1.1696 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4122 -0.1522 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7949 -0.8438 0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6540 -0.3192 1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 -0.8955 1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 -1.8961 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 -2.7900 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1158 -2.8774 -1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2668 -2.2276 -2.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -1.1217 -1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9671 -1.4134 -1.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0138 -1.3227 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 -0.8853 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 0.3280 0.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 0.3317 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 0.3916 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 0.7496 -1.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.0553 -0.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 0.0761 -2.0915 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5575 -1.2779 -2.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 -2.1234 -1.8669 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 1.1737 -2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3199 1.3339 -1.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4177 0.6327 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6527 -0.4606 -1.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3916 1.1651 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8628 0.7950 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7701 1.3358 2.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1829 0.8185 2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1914 -0.6595 2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5397 -1.2985 2.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2487 -1.0653 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5464 -1.7133 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7042 -1.1579 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1437 0.1591 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3188 1.3031 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6557 1.2185 -1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7151 1.1059 -2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0049 1.5549 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4713 -0.1116 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 1.2231 -0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3237 0.3987 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2587 1.7044 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 3.3267 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6581 3.2607 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0664 1.5316 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8810 1.0149 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2540 -0.6732 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2351 -1.8210 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6018 0.8284 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9533 -0.3923 2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5626 -0.3748 2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 -2.1651 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -2.7166 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4161 -3.8914 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6595 -3.6942 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1223 -2.5185 -3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6088 -0.6917 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -0.3157 -2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6511 -1.7637 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 -1.6612 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 -0.6905 0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 -1.7203 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9334 1.2516 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 0.4037 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 1.1173 1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -0.6425 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 0.4181 -2.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 -1.2540 -3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 -1.7801 -2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -2.7742 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 1.0427 -3.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 2.1596 -2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3433 0.6429 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4461 2.2461 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8661 1.2435 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 -0.3178 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 2.4578 2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3141 1.0830 3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 1.0841 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 1.3556 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5822 -1.1059 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6418 -0.8819 3.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1681 -0.8564 3.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4855 -2.3875 2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5980 -1.6292 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2352 -0.0025 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5637 -2.8310 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6052 -1.9082 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9471 0.0440 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8746 0.5441 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6408 1.7266 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0671 2.1931 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 0.4375 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1314 2.1983 -1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4293 1.9117 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1655 0.0980 -2.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2326 1.2842 -3.1827 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 23 72 1 6 24 73 1 0 24 74 1 0 25 75 1 0 26 76 1 0 26 77 1 0 30 78 1 0 30 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 M END