HMDB0054958 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/18:3(9Z,12Z,15Z)) 187186 0 0 0 0 0 0 0 0999 V2000 -3.7299 -1.3047 -6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4998 -2.7871 -6.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 -3.2213 -7.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4082 -4.1945 -7.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 -5.0093 -6.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 -4.9633 -5.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -4.5345 -3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -4.0335 -3.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 -4.9449 -2.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2275 -4.6342 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5201 -3.3072 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3055 -2.7285 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 -1.4146 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5820 -1.4925 2.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0887 -2.4244 3.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7556 -1.9956 3.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -3.0459 4.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1709 -2.8897 5.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -2.0326 6.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -3.6272 5.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -3.4797 6.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 -4.3925 5.5542 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7582 -5.8689 5.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -6.1071 4.9946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0674 -7.1938 4.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 -8.2264 5.3218 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 -6.9234 3.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 -6.8066 2.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -6.2028 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -5.0120 0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 -4.3884 1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6226 -4.1508 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 -3.0614 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 -1.7648 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -0.6710 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 0.2211 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 0.5378 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2626 0.2861 2.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 -0.0077 3.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8332 -0.1697 3.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 0.7221 4.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 1.6885 4.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8462 2.1803 3.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 2.0536 4.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2504 2.5670 3.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0967 4.0422 2.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 4.3643 1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 -4.2946 6.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -4.2908 5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -4.3945 4.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0216 -4.1738 5.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 -4.1271 4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 -2.9056 3.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8255 -2.8495 2.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -1.5685 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 -1.3885 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 -0.0496 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 0.2538 -1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 1.5718 -1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 2.7668 -1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5502 4.0591 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 4.4314 -2.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 5.8312 -2.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3024 5.9302 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 7.2526 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 7.9260 -1.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 7.3746 -2.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8516 6.0878 -2.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 5.9676 -4.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 4.5640 -4.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5963 4.2304 -5.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 2.7942 -6.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 2.4724 -7.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -0.9388 -5.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8803 -0.7079 -7.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 -1.2174 -5.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3245 -3.3638 -5.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 -2.8519 -7.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7891 -2.6934 -8.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2146 -4.4524 -7.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4267 -4.9085 -5.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -6.1139 -6.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4739 -5.3172 -5.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6170 -4.5763 -3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7307 -3.0060 -2.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5533 -4.0133 -3.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9693 -5.9884 -2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0113 -5.4424 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -3.4493 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9891 -2.5838 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4505 -2.6687 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0343 -3.4809 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9021 -0.6912 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 -1.0550 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5842 -1.8025 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6923 -0.4788 2.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0512 -3.4816 2.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8729 -2.3757 4.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9614 -1.9728 3.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 -1.0251 4.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 -3.0855 5.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4929 -4.0136 4.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -3.6661 7.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 -2.3917 5.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2371 -4.3599 4.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5903 -6.5625 5.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4552 -5.9328 6.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -7.8013 3.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -6.0256 3.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 -7.9521 2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 -6.5249 2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -6.6817 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -4.5926 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -4.9134 2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -3.3585 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 -4.9989 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 -3.0955 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 -1.9025 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -1.6854 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -0.6449 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 0.9198 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1059 1.7424 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 0.3650 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 0.4241 2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 -0.1824 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 0.3265 2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 -1.1556 3.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 0.4936 5.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 2.2593 5.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 3.2798 3.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 1.6487 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4837 2.5417 5.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 0.9713 4.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3265 2.4125 3.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 2.0364 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 4.3146 2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 4.6348 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 5.0788 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0726 4.7769 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5034 3.4462 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 -3.2095 6.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 -5.0239 6.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6537 -5.0535 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8682 -4.0392 4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9681 -2.0295 3.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 -2.6710 3.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5777 -3.7503 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -2.7410 2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8565 -0.7088 1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 -1.4294 1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7356 -2.1514 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3109 -1.2625 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -0.0132 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2507 0.7633 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -0.5687 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.4225 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 1.5264 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 1.6755 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 2.5968 -0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1757 2.8281 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 4.8855 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 3.9742 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 4.4883 -3.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 3.7089 -2.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 6.6134 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 5.9988 -3.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 5.0591 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 5.7167 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2221 7.2461 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5669 7.9869 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 8.9740 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 8.2307 -2.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 7.3678 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 8.1463 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 5.8621 -2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 5.1932 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 6.1448 -4.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 6.6375 -4.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 3.8896 -3.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 4.4219 -4.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 4.8594 -6.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5562 4.3368 -6.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5165 2.0961 -5.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1429 2.6997 -6.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 1.8566 -8.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 3.4081 -8.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 1.8495 -7.7751 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 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 1 0 45 46 1 0 46 47 1 0 22 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 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 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 6 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 70179 1 0 70180 1 0 71181 1 0 71182 1 0 72183 1 0 72184 1 0 73185 1 0 73186 1 0 73187 1 0 M END