HMDB0007313 RDKit 3D DG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0) 114113 0 0 0 0 0 0 0 0999 V2000 14.8498 3.5122 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1102 2.7291 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6930 2.7133 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 1.6619 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 0.2911 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8161 -0.5394 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1857 -1.6500 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 -2.2037 -0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 -2.3421 -1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6163 -2.0228 -1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2348 -1.4158 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3159 -2.3233 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 -2.6070 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 -3.5084 0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 -3.2010 2.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 -2.2017 2.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 -0.7706 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -0.3943 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1036 -1.2248 0.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 0.8927 0.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 1.3854 -0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 1.1724 -1.3169 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0812 1.8654 -2.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 1.6364 -3.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1713 1.7458 -0.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 1.0240 -0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -0.1467 -0.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 1.6045 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 0.7272 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 0.6019 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 1.9165 -1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4911 2.2023 -1.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 1.2744 -1.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6772 1.7845 -0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1794 1.1866 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7368 -0.1232 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6295 -1.2511 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8671 -1.3755 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6952 -0.3063 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9103 -0.0268 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7362 1.0946 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9336 1.3675 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1492 0.5907 1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2663 -0.8596 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9303 -1.5781 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9625 -1.1384 -1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4535 3.2201 -1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7494 4.5801 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9287 3.1879 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6181 1.7998 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2295 3.3546 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1866 3.6925 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 1.7668 -0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5791 0.3389 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5774 -0.1651 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8248 -0.2092 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 -2.2168 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8211 -1.7167 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5517 -3.2851 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8056 -2.8011 -2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 -2.2305 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9545 -0.9348 0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5129 -0.5489 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 -1.8085 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8316 -3.2475 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6088 -1.6796 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3378 -3.1902 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5897 -4.5587 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -3.6940 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4429 -3.1210 3.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1326 -4.2307 2.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -2.3775 3.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -2.6045 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -0.2882 2.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8251 -0.2670 2.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 2.4397 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2939 0.8048 -1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 0.1197 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 1.4628 -3.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 2.9467 -2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 0.7558 -3.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7087 1.6916 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 2.6487 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0033 1.2004 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 -0.2649 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -0.1802 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.2139 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 2.7235 -1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 3.2203 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0784 1.3649 -2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3945 0.2151 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0704 2.7902 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9528 1.7557 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2578 0.0094 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7838 -0.3830 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1795 -2.2184 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3698 -2.3952 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2616 0.5535 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2302 -0.8201 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5084 0.4058 1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4466 -0.9245 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0838 2.0226 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9337 0.8447 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2631 2.4540 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5984 1.5877 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8468 0.9536 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7783 1.0460 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3618 -1.1055 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7581 -1.2955 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0251 -2.6906 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9763 -1.3279 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7396 -0.1138 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9483 -1.0831 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9847 -1.8545 -2.0447 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 22 78 1 6 23 79 1 0 23 80 1 0 24 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END