HMDB0053697 RDKit 3D TG(20:3n6/18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 169168 0 0 0 0 0 0 0 0999 V2000 3.1857 -6.4141 -4.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 -5.6721 -3.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 -6.5681 -3.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8822 -6.5803 -1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3825 -5.6814 -0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4884 -4.8885 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6367 -3.6079 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 -2.7291 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 -1.9192 -1.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 -0.6472 -1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7844 0.3416 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 0.0243 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 0.3118 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 1.0322 -0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 2.2626 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 2.5079 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0242 1.6270 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 2.3500 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 1.6258 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7316 2.6234 -2.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 2.4845 -3.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 3.6373 -1.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 4.6687 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 5.7417 -3.0946 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0348 7.0557 -2.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7465 7.0814 -1.7958 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3449 6.9710 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 6.7943 -0.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2913 7.0560 0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4067 5.8804 1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8354 4.6181 0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0827 3.4577 1.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9287 2.9972 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 1.8219 3.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8493 0.6705 2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3893 -0.5573 2.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2542 -0.9477 3.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7291 -1.9783 4.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 -3.1546 4.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -3.6101 3.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 -4.0217 4.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -5.2474 4.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 -6.2887 3.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 -6.8592 3.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1503 -7.4584 4.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 -8.0007 3.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -6.8276 2.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 5.6233 -4.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2233 5.7658 -4.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 5.9436 -3.3327 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 5.7683 -5.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 5.3027 -5.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2015 3.8314 -5.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 2.9996 -4.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 1.5338 -4.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6283 1.0798 -3.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -0.4217 -3.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5387 -1.1463 -3.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 -2.6372 -3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -3.0345 -2.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -2.5968 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -2.8726 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 -2.3740 1.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 -2.6076 2.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 -2.1513 4.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9929 -0.7014 4.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1514 0.2349 3.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -6.7664 -3.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5358 -7.3104 -4.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 -5.7156 -4.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -5.1751 -4.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 -4.8609 -3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9133 -7.3005 -3.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6883 -7.3153 -1.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 -6.4143 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -5.1959 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -5.4877 0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5001 -3.1425 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8096 -3.3563 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -2.2036 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6637 -2.4878 -2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8065 -0.1983 -2.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 1.1978 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7503 0.9345 -0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6923 -0.4663 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 0.0166 1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 0.3673 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2067 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 3.0098 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 3.4638 0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 0.6715 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 1.5211 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 3.3090 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 2.5927 -1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 1.4078 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 0.7477 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 5.0933 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7164 4.1981 -3.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 5.9667 -2.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 7.2049 -3.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2978 7.9002 -2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 7.9640 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2762 7.3669 0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 5.7094 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1337 6.0806 2.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6873 4.7413 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 4.2449 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 3.7915 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5138 2.5939 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 2.6367 2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 3.8249 3.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 1.7224 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2601 2.2091 4.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 0.8486 2.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8264 -1.3284 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 -0.0462 4.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -1.1146 3.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5578 -1.6825 5.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6177 -3.9282 5.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -2.8264 3.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -4.4268 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -3.2771 5.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 -5.5012 5.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 -7.1852 4.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -6.1805 3.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -7.6612 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 -6.1137 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5423 -6.6750 4.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 -8.3100 4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -8.5267 3.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -8.7207 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9379 -6.9114 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -6.8293 1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 -5.8964 2.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8682 5.1326 -6.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 6.8065 -6.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 5.8068 -6.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 5.6656 -4.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 3.6517 -4.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 3.4683 -6.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 3.0953 -5.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 3.4587 -3.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 1.1893 -5.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 0.9876 -4.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 1.4812 -4.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 1.5377 -2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0554 -0.7115 -4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -0.6694 -3.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -1.0010 -4.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 -0.7032 -2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -2.9951 -4.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -3.0652 -3.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 -2.5922 -2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 -4.1320 -2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -1.5416 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -3.1962 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 -3.9404 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 -2.3312 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -2.8499 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 -1.2713 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 -3.6541 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -2.0266 2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -2.7337 4.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -2.3542 4.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 -0.5375 5.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -0.4165 3.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 0.8199 4.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0118 0.9580 3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 -0.3683 3.8760 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 1 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 1 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 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 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 1 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 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END