HMDB0299790 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0/i-19:0) 122121 0 0 0 0 0 0 0 0999 V2000 -14.0179 3.2307 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1214 2.9775 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1168 3.6607 -2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6851 3.4745 -2.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0238 4.2822 -3.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0782 2.1343 -2.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5193 1.0837 -1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6843 0.5297 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2744 0.9424 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3411 -0.1632 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4076 -0.6438 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1658 -0.1317 1.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3979 -0.8772 2.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8578 -2.0503 2.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2989 -3.0345 1.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6030 -4.3312 2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8658 -4.9741 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -4.6058 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9996 -4.5655 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5012 -3.5390 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9937 -3.6409 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -4.4591 1.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2089 -2.8633 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -3.0164 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1537 -2.6356 1.3014 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1920 -2.9108 1.3233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4313 -1.1590 1.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -0.2946 0.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -0.0941 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2711 -0.7371 1.4327 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 0.7971 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 2.2341 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 2.7012 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 2.5126 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 1.1301 1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2274 1.2288 2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 -0.1700 2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 -0.9992 1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 -0.4155 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2661 -0.4104 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4105 0.0958 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6086 -0.6942 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 -0.2047 -1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7660 1.2261 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8779 1.8568 -2.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2248 1.8555 -2.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1795 2.6373 -3.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8119 0.4654 -2.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6228 2.4381 0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4173 4.1980 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9760 3.0622 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1198 3.5344 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3719 1.9496 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3174 4.7876 -2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3417 3.4279 -3.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3365 4.0080 -1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3388 3.9863 -3.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9861 2.1882 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4371 1.7478 -3.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5670 0.7178 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0863 -0.2547 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9982 1.8696 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1470 1.1943 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4314 -0.6275 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7482 -1.4512 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5126 0.9549 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0025 0.0954 1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1185 -0.3098 3.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9582 -2.4309 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4023 -3.2357 2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2031 -2.8123 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7519 -4.7681 3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4132 -5.9404 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8989 -3.6466 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8897 -5.4451 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7393 -4.2829 -1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6611 -5.5872 0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -3.7313 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8154 -2.5302 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -4.0604 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -2.2864 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6392 -3.1796 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 -3.2222 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1832 -0.9798 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5463 -1.0085 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.6870 -1.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 0.3599 -0.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 2.6391 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 2.8300 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 3.8260 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 2.3433 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 2.9868 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 3.1230 2.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 0.6960 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7232 0.4458 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1835 1.7400 3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7846 1.8228 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 -0.6709 3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6671 -0.1890 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -1.1419 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 -1.9873 1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6261 0.5798 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -1.1043 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 0.1272 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5296 -1.4718 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1528 1.1548 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3090 0.1386 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 -0.4813 -1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6131 -1.7763 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0021 -0.8116 -2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7254 -0.3885 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6183 1.8298 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8116 1.4312 -2.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9660 1.3897 -3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6274 2.9474 -3.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2573 2.3565 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0964 2.1859 -4.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2074 2.4895 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9252 3.6991 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8737 0.5001 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9181 0.1187 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2625 -0.2296 -2.7533 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 25 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 46 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 0 24 81 1 0 25 82 1 1 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END