HMDB0010539 RDKit 3D TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -2.3394 3.8526 -3.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5572 5.0180 -2.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3298 5.7678 -2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 5.9121 -1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2611 5.3278 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 6.4213 0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9169 6.5141 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 5.5089 2.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 6.2930 2.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 6.3711 3.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 5.6516 4.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 4.8180 5.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 3.5593 5.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 2.5553 5.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 2.8016 4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3622 2.3853 3.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 1.5745 2.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 0.2742 2.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -0.5466 3.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 -1.8130 3.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6477 -2.3471 4.8132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 -2.5242 2.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -3.7346 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -4.4953 1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 -4.8279 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 -3.6928 0.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 -3.7167 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -4.8441 -0.6867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 -2.5145 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 -2.8315 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -1.5475 -1.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 -1.8442 -2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.7437 -2.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 -1.3406 -0.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 -2.2217 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -3.4472 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 -4.3138 -1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7031 -5.5152 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -6.6981 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 -7.0424 -1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -7.9031 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3263 -7.6288 -4.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9912 -6.4231 -4.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3302 -5.4242 -5.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 -5.3302 -5.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0411 -6.2872 -5.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -5.5000 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 -3.8864 0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1643 -4.5381 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4151 -5.6646 0.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 -4.1778 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1065 -3.2181 -1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 -1.7713 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3633 -0.9638 -2.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9196 -1.0497 -2.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 -0.4813 -1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3975 1.0046 -0.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 1.7253 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 2.3671 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6256 2.4354 1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 3.8409 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 4.3934 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 3.7842 3.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3871 3.8168 3.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1014 2.7307 4.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5962 1.3406 4.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3284 0.5804 2.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0541 4.3069 -4.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 3.1589 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 3.2925 -4.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 4.5834 -2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 5.7100 -3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 6.2318 -3.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 6.5125 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 4.5364 -0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 4.9224 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 7.1724 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 7.3418 2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 5.0881 3.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 4.7914 1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 6.8577 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 7.0028 3.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4473 6.3956 5.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 5.1544 4.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 5.3424 5.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 3.0968 5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 2.0241 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 1.6986 4.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 3.3735 5.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4463 2.6452 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 2.1487 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 1.4204 2.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -0.3492 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 0.4289 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -0.8069 4.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.0285 4.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 -4.4327 3.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1687 -3.4798 3.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 -5.4832 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -5.4108 1.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 -5.4987 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -1.9716 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 -1.8727 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.2109 -2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 -3.6164 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -0.8558 -2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 -1.0230 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 -2.1725 -3.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8519 -1.9447 -3.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -0.9137 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 -0.3676 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 -1.7419 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 -3.8940 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7305 -3.8749 -2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 -4.6363 -1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7726 -5.3335 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 -7.5308 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1521 -6.2627 -1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -7.7235 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5762 -8.8622 -2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0226 -8.4181 -4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9476 -6.8025 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 -5.8859 -3.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9858 -4.5368 -5.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 -4.4454 -6.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -7.2188 -5.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5461 -6.5481 -6.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 -5.8107 -5.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 -4.4118 -5.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -5.6710 -3.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -4.0112 -2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5602 -5.1990 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 -3.6419 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7834 -3.3811 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0642 -1.3689 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5147 -1.4830 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6818 0.1199 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8592 -1.2292 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5698 -0.4694 -3.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5394 -2.0501 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3318 -1.0363 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 -0.5643 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 1.1500 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 1.4205 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 1.7621 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 2.8778 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 1.8039 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7921 2.0060 2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 4.3683 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9745 5.4653 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4401 4.4207 4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4528 2.8185 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8516 4.8040 3.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2011 2.8450 4.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9242 0.8823 5.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5273 1.2192 3.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5186 -0.4667 3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7032 0.5824 1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2633 1.1241 2.6986 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 0 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 62150 1 0 63151 1 0 63152 1 0 64153 1 0 65154 1 0 66155 1 0 66156 1 0 67157 1 0 67158 1 0 67159 1 0 M END