HMDB0300473 RDKit 3D DG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/i-22:0) 134133 0 0 0 0 0 0 0 0999 V2000 -18.1791 -3.0469 -1.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6746 -1.9058 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7995 -0.6069 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9515 -0.8139 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9647 0.4223 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4490 1.5929 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4200 2.3165 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5018 2.1471 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7055 1.1457 2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9564 0.0979 2.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7485 -0.3550 1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1881 0.3651 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9810 0.8806 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0651 0.7665 1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7992 0.0200 1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0837 -0.0017 2.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9486 0.4326 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6477 0.4974 -0.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0916 1.6434 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0955 1.5170 1.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 0.3626 1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 0.5460 0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 1.6485 -0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 -0.5590 -0.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 -0.5612 -1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5989 0.1887 -1.2134 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7089 1.4929 -0.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 -0.6700 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -0.3460 -0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 -0.3284 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 -0.6275 -2.4647 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 0.0007 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2372 1.4663 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 1.7219 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 1.1338 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 1.3185 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 0.6791 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 -0.7925 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8112 -1.4703 -2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3342 -1.4995 -2.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8435 -2.2411 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2847 -2.4016 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1950 -1.2891 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3166 -0.1418 -1.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4060 0.7857 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7552 0.1321 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7172 1.1807 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1204 0.6036 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1791 -0.5994 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7578 -0.3554 2.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8579 -1.6746 2.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7024 0.5980 2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9245 -2.6432 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3641 -3.4909 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6546 -3.7877 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5981 -2.1045 -2.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1653 -1.8385 -3.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8584 -0.3921 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3114 0.1667 -2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9302 -1.0657 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4243 -1.6660 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6728 0.1637 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1019 0.6129 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0066 1.9503 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2157 3.2003 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6671 3.1650 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4287 2.3489 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5790 1.3165 2.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3338 -0.5378 3.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9977 -0.6453 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0311 -1.4375 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7835 0.4938 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6368 1.4310 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4719 0.4488 2.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7195 1.8496 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0370 -1.0826 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7108 -0.3074 3.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1974 -0.4228 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0245 -0.4102 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5294 1.7987 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 2.5788 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4363 2.4456 1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5032 1.6126 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 0.3866 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6837 -0.5990 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -1.6375 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4001 -0.1805 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0642 0.2078 -2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 1.7350 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 -0.6778 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 -1.7520 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.5257 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 -0.4608 -2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 1.9992 -0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 1.9426 -2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 2.8163 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 1.3000 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9281 1.7175 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 0.0926 0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1776 0.7899 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1601 2.3581 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6173 0.7450 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 1.2256 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4461 -1.3354 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 -0.8839 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5551 -0.9222 -3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 -2.5243 -2.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7626 -0.5256 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5996 -2.1344 -3.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.7324 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3836 -3.2706 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5222 -3.2021 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6788 -2.9190 -1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2396 -1.7721 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0533 -0.9205 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 -0.4043 -2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4043 0.5214 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0948 1.1267 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.6972 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0863 -0.2850 -1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7122 -0.6346 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7077 2.0381 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3205 1.4974 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4907 0.3561 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7721 1.3962 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6307 -1.4350 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2589 -0.9192 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7393 0.0427 2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5139 -1.4573 3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8931 -2.0497 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1199 -2.3633 2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4799 1.6580 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6395 0.3658 3.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7279 0.3413 2.4323 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 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 0 25 87 1 0 26 88 1 6 27 89 1 0 28 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 M END