HMDB0050664 RDKit 3D TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) 191190 0 0 0 0 0 0 0 0999 V2000 -8.5909 -7.7279 -5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3248 -7.0594 -6.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4722 -5.8344 -6.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1328 -4.8188 -5.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1905 -3.5695 -5.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8976 -2.6340 -4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -2.1283 -3.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1663 -2.2816 -2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1016 -3.0771 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4842 -4.1170 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8911 -4.5861 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4656 -5.9365 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9425 -6.9182 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 -6.9205 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -7.9535 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6397 -7.6878 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 -6.3750 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -6.4979 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1959 -5.3235 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -4.0765 0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 -4.0329 1.2779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -2.9193 0.7109 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1672 -1.6681 1.1985 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2488 -1.1324 2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 0.1996 2.4304 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 1.0972 3.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 0.7577 3.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.4542 3.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 2.4731 3.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 1.7591 4.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 1.7783 5.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 1.3060 6.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7278 -0.0424 6.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -0.2425 7.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -1.6507 7.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -1.7146 8.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 -1.3926 7.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -0.3931 7.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 0.5220 8.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 1.9710 8.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9172 2.5107 7.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3683 2.5014 7.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 3.3121 8.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 4.7679 8.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2512 5.5933 7.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 5.3172 6.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -0.6171 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 -0.8358 -0.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -0.8602 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -0.6716 0.6837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 -1.1087 -1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 0.0906 -1.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9893 0.4352 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0471 1.4313 -0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 2.8340 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7322 3.4029 -2.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 3.1882 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 4.0162 -4.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2204 3.7866 -5.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 2.3672 -5.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 2.1820 -6.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 2.6579 -5.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 2.4543 -6.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0639 1.0345 -6.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9954 0.2159 -6.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1944 0.4206 -5.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 1.7628 -4.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 1.6766 -4.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9979 0.8330 -2.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5076 1.1147 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1624 1.6226 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 3.0985 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 3.5489 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6634 -7.6638 -4.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9179 -7.3316 -4.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3739 -8.8296 -5.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2762 -6.7410 -6.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 -7.7547 -7.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2458 -5.4103 -7.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5368 -6.1686 -5.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1214 -4.5009 -5.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2779 -5.2620 -4.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1300 -3.2118 -6.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2756 -4.0258 -4.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9622 -2.3456 -4.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1792 -1.4270 -2.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4064 -2.6448 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7355 -1.2375 -2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6825 -2.7595 -4.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6755 -4.6304 -3.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 -4.6916 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4028 -3.8653 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3859 -6.0750 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4706 -7.8948 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 -5.9828 0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -7.3489 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2436 -8.9905 -0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -8.5451 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -6.2072 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 -5.5231 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 -6.9654 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9035 -7.3153 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -5.5319 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6166 -5.1119 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -1.6133 1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 -1.6761 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 -1.1972 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 2.9937 4.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1265 3.0477 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 1.9887 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 3.5090 3.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 0.7060 4.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 2.2342 5.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 1.1769 4.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 2.8410 4.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 1.4636 6.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 2.0282 7.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 -0.7915 6.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -0.3206 7.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4525 -0.0177 6.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2443 0.4087 8.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -2.4268 7.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 -1.8759 8.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3505 -1.0883 9.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -2.7753 8.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 -2.0470 6.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7993 -0.2659 6.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 0.2607 9.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 0.5062 8.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 2.6097 9.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 2.0375 7.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 1.9290 6.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 3.5630 6.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 2.7400 6.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 1.4340 7.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 2.9083 9.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7556 3.1101 9.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 4.9758 8.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 5.1427 9.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 6.6674 7.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3408 5.6847 8.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1886 4.8786 5.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 4.7174 5.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 6.2858 5.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0106 0.4042 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0864 -0.6285 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 -1.3203 -2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 -2.0187 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.0676 -2.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 0.9355 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4979 -0.5544 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 0.6303 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 1.2814 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 0.9314 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9968 3.3026 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2621 3.3446 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 4.5469 -2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 3.1297 -3.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 3.3016 -2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 2.1270 -3.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6206 5.0863 -4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 3.6531 -5.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2205 4.4270 -6.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 4.1903 -4.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 1.9724 -6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 1.7748 -4.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 1.0800 -6.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7519 2.7095 -7.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 2.1056 -4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 3.7346 -5.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 3.0724 -5.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 2.9102 -7.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 0.5837 -7.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7969 -0.8557 -6.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -0.0486 -5.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -0.2422 -4.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 2.5116 -5.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 2.0993 -4.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6185 1.2920 -4.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2865 2.7323 -4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -0.2257 -3.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1336 0.5218 -2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7268 0.2033 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 1.8706 -1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 1.0907 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 1.4108 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 3.6288 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 3.4254 -2.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 3.7299 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4071 4.5235 -2.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 2.8359 -1.9743 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 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 2 0 26 28 1 0 28 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 1 0 36 37 1 0 37 38 2 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 23 47 1 0 47 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 2 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 1 24106 1 0 24107 1 0 28108 1 0 28109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 46144 1 0 47145 1 0 47146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 65174 1 0 66175 1 0 66176 1 0 67177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 69182 1 0 70183 1 0 70184 1 0 71185 1 0 71186 1 0 72187 1 0 72188 1 0 73189 1 0 73190 1 0 73191 1 0 M END