HMDB0298730 RDKit 3D DG(20:3(8Z,11Z,14Z)-O(5,6)/i-14:0/0:0) 107107 0 0 0 0 0 0 0 0999 V2000 10.6231 -2.0690 -3.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8193 -1.3041 -3.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3046 -0.0633 -2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4157 -0.5625 -1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8167 0.5660 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9181 1.2913 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 1.3646 1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1003 0.7575 2.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5450 1.8302 3.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2753 2.1018 3.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 1.3471 2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 2.2485 1.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 2.3687 1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 1.6301 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 2.5130 3.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6511 3.4355 2.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 2.4926 3.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 1.4977 3.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5239 0.0886 3.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -0.8487 3.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -0.7498 1.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 0.1395 0.9971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 -1.5396 0.6448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -1.4853 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2131 -1.9356 -1.3545 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1764 -1.7429 -2.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -2.2383 -3.4504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3318 -1.2379 -0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4018 -1.8862 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 -3.1387 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 -1.0781 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -1.8993 0.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2041 -2.9630 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9718 -2.3983 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0336 -1.4595 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8100 -0.9112 -1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8769 0.0451 -1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6519 0.5745 -2.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7311 1.5548 -1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6905 0.8698 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7484 1.8684 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4789 2.3625 -1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6580 1.2923 0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9516 -2.6646 -4.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2342 -2.7451 -3.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8136 -1.3937 -4.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4360 -1.9308 -2.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4555 -0.9471 -4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 0.5347 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7024 0.5526 -3.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 -1.2154 -0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5761 -1.1815 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3154 1.2923 -1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0947 0.0786 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6709 1.7848 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 1.9220 1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8221 0.2001 3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4348 -0.0046 1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2644 2.4132 3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 2.9242 3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 0.9324 3.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 0.4757 1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0624 2.8330 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6787 3.0607 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 0.7260 2.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5482 1.1719 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1986 3.1975 4.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 2.9359 4.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 1.8053 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 1.5825 2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4056 0.0422 4.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5253 -0.1837 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 -1.8812 3.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5115 -0.5321 3.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -2.1652 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 -0.4772 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 -3.0272 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -2.3790 -3.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -0.6777 -3.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 -1.5851 -4.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -0.6248 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -0.2409 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0292 -2.4182 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 -1.2394 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9751 -3.4466 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 -3.7663 -0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4485 -3.2669 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3235 -1.8283 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5806 -0.5728 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7359 -1.9748 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -1.7184 -2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1166 -0.3261 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5347 -0.5376 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3979 0.9049 -0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9822 1.1253 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2041 -0.2461 -2.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2883 2.4641 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2956 1.8752 -2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1655 -0.0088 -1.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1516 0.5512 -0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2316 2.7468 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5914 1.5179 -2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8896 3.1446 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4867 2.7385 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7337 1.4326 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4784 0.2083 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4913 1.8108 1.5371 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 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 1 0 16 17 1 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 26 27 1 0 25 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 41 43 1 0 17 15 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 24 75 1 0 24 76 1 0 25 77 1 6 26 78 1 0 26 79 1 0 27 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 42102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END