HMDB0053662 RDKit 3D TG(20:3n6/14:0/22:5(7Z,10Z,13Z,16Z,19Z)) 163162 0 0 0 0 0 0 0 0999 V2000 3.3022 -3.0760 -5.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -3.1291 -3.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 -2.1904 -3.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 -2.5082 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -3.9276 -3.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 -4.3536 -4.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 -4.8068 -4.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 -4.9586 -3.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -4.2020 -2.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7842 -3.2364 -3.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4899 -2.6116 -4.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -1.2049 -4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 -0.2848 -3.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 -0.4648 -2.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 -0.0271 -1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 0.9041 -0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9286 1.6088 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9908 1.2456 1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 1.6747 1.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4382 3.0183 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4761 4.1832 1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 4.7277 0.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0616 5.3601 -0.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0741 4.5372 1.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 5.0169 1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 4.5803 2.7166 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3439 5.3412 2.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4066 4.9467 2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6488 5.5966 2.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7272 6.5195 3.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 5.1151 1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 5.9008 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 5.4108 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 5.4772 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 4.9514 -1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2148 3.5098 -1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1639 2.6111 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2776 1.7018 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1617 1.3411 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 1.4527 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 2.0620 -0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 2.8158 -1.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 2.1624 -2.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 2.6997 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 4.1347 -2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 4.8922 -4.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9977 4.4399 -5.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3686 4.5253 -4.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 5.9270 -4.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 3.2270 2.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1868 2.2836 3.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8776 2.6236 4.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 0.8546 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -0.0640 4.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -1.4967 4.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 -1.6674 4.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 -3.0188 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4651 -4.1691 4.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 -5.4175 3.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -6.6745 4.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 -6.9219 4.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 -7.0714 3.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 -8.1775 2.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -8.3128 1.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4661 -7.1489 0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -2.1721 -5.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -4.0031 -5.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -2.9035 -5.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -2.7234 -3.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -4.1515 -3.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 -1.1123 -4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 -1.7165 -3.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -4.6331 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 -3.9007 -2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 -4.2830 -5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 -5.1327 -5.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 -5.0387 -2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3543 -6.0933 -3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 -4.5387 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7345 -2.9003 -2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5109 -2.7075 -5.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -3.2179 -5.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -0.8661 -5.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 0.7452 -4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 -1.4447 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9093 0.2210 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8813 -0.5148 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 1.1560 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8645 1.3206 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7109 2.6790 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 0.1316 1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 1.6418 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 1.1962 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0642 1.0695 2.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7331 3.3016 3.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 2.9929 2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1252 3.9634 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 5.0023 1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 6.1163 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 4.6073 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 4.9019 3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6487 5.1763 3.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1196 6.4287 2.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 5.3041 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 4.0231 1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0287 6.9550 0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 5.8515 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 6.0457 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7853 4.3746 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5892 6.5211 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3643 4.8995 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3978 5.5408 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3930 5.1287 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 3.4093 -2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 3.2847 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9985 2.7794 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 1.1137 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 1.7320 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 0.2036 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 0.9124 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.0447 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 3.8545 -1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 2.6562 -2.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 1.0819 -2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 2.0766 -3.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 4.5766 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 4.1471 -2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 5.9765 -3.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0595 4.7508 -4.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 3.3873 -5.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 5.0624 -5.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0846 4.2322 -5.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 3.7710 -3.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 5.9836 -3.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 6.2002 -3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 6.6117 -4.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 0.5482 2.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 0.8582 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 -0.0162 4.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0089 0.1680 5.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 -1.7420 3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 -2.1520 4.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 -0.9492 3.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 -1.3845 5.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 -3.1667 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 -3.0402 3.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 -4.2366 4.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -4.0953 5.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -5.3073 4.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 -5.3406 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 -7.5478 4.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -6.4853 5.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -7.8816 5.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -6.1596 5.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -7.1298 3.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 -6.1114 2.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 -9.1897 2.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -8.1706 1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0119 -9.1976 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 -8.5857 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -6.8214 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -7.4231 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -6.2637 0.9791 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 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 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END