HMDB0054829 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -0.4833 8.1622 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 8.1614 0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 7.0001 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 5.6528 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 5.4792 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 5.6006 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2304 4.7804 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3895 3.4454 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 2.9001 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 1.8687 -0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7121 1.1405 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 1.2266 1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 0.1556 1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1154 -1.2450 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 -1.9282 2.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 -2.9894 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -3.6897 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 -3.7077 2.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 -4.4782 1.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1638 -4.2757 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 -3.0388 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 -1.8058 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -1.0452 0.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 -1.4464 -1.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5485 -0.3069 -1.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 -0.2714 -3.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 0.2610 -4.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 0.6289 -5.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -0.1848 -6.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 -1.4173 -6.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 0.4074 -7.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4446 0.6626 -8.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 1.5688 -8.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1737 2.8961 -7.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 3.7894 -7.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 5.0357 -6.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 5.4770 -5.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 4.7125 -4.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3565 5.5940 -4.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 5.7775 -3.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 5.2074 -1.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 6.2711 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 6.4611 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 5.6229 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 4.9544 2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 3.6786 2.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 2.7020 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 1.9397 1.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 0.8679 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1103 1.1714 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3046 1.7159 -1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 -1.4308 -3.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0826 -1.6489 -3.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -0.6855 -3.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 -2.9856 -3.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 -3.7975 -2.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8633 -3.0332 -1.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 -3.6211 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9187 -4.9944 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3206 -5.3994 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -6.4391 1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9933 -7.4538 1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6266 -8.7929 0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -9.8011 1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -9.7237 2.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3975 -10.1046 3.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -9.3660 4.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -8.0022 4.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6441 -6.9795 5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3803 -6.2123 6.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1804 -6.2186 7.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 -4.8471 7.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 -4.7037 7.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -5.6929 7.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 -5.5107 6.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 7.1385 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 8.6509 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 8.7826 -0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 9.0801 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 8.2485 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 7.1257 1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 7.1639 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 4.8782 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 5.4369 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 4.6257 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9201 6.3801 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 6.5933 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0935 5.1249 1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7279 2.7283 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3917 3.5103 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 3.3476 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9641 1.4970 -1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 1.6596 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 0.1607 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9847 2.2450 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 0.3149 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1538 -1.2876 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 -1.7124 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -1.4629 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 -3.3936 3.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -4.7638 1.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 -3.3622 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8585 -4.2314 3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -2.6713 2.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.4393 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 -5.5833 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 -4.3701 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 -5.1993 -0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -3.2422 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 -2.8973 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 -0.1999 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1961 0.5905 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 0.5810 -2.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.1775 -3.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 -0.4488 -4.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 1.2781 -7.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 -0.3582 -7.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 1.0907 -9.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.3138 -8.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 1.6503 -9.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 1.0542 -7.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5082 2.9027 -6.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 3.4582 -8.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9155 4.0176 -8.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 3.1691 -6.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 5.6556 -7.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8006 6.4131 -5.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6517 3.9058 -5.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7063 4.2251 -3.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 6.0825 -5.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 6.4438 -2.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 4.4827 -2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 4.5701 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 6.9708 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 7.2785 0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 6.4117 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 5.0512 0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 5.6233 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 3.2795 3.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 3.1625 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 2.0290 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 1.5870 2.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6867 2.7250 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 0.0662 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 0.3247 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9722 1.8746 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 0.2473 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.5556 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.2024 -2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 2.7868 -1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9001 -3.4950 -4.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5865 -2.9400 -4.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -4.7482 -2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -4.0210 -2.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -2.0309 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7263 -2.7889 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 -3.6941 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9946 -2.9294 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 -5.6589 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8458 -4.9577 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -4.7363 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3474 -6.5972 2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 -7.3895 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 -7.2185 -0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5169 -8.8729 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6611 -10.8003 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -10.5951 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 -8.8099 2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8613 -11.1156 4.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6455 -9.7587 5.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 -8.0563 5.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1762 -7.7499 3.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5716 -6.8862 4.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1509 -5.4731 6.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 -7.0298 7.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 -6.2894 8.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -4.6071 6.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 -4.1156 7.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 -3.6955 7.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.7543 9.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -6.7385 7.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 -5.4007 8.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6603 -4.6571 5.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2766 -5.4160 5.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -6.4144 5.5888 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 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 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 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 20107 1 0 20108 1 0 21109 1 0 21110 1 0 25111 1 0 25112 1 0 26113 1 0 27114 1 0 27115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 51150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 70174 1 0 71175 1 0 71176 1 0 72177 1 0 72178 1 0 73179 1 0 73180 1 0 74181 1 0 74182 1 0 75183 1 0 75184 1 0 75185 1 0 M END