HMDB0054076 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -5.0210 -2.6349 6.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -1.1728 6.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2184 -0.6640 5.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4068 -0.2506 4.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3978 -0.2206 3.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9581 -1.0837 2.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1868 -0.6635 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 0.7212 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 0.7218 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 1.2500 -1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2873 1.9012 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0857 1.4572 -3.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9617 0.5028 -3.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8972 -0.4959 -3.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4907 -1.8612 -3.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3179 -2.8409 -3.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4384 -2.8082 -1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 -3.7868 -2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 -4.8522 -1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9644 -5.3173 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 -5.4575 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 -4.1595 1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9377 -3.5847 2.2204 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -3.4437 0.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 -2.1725 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9822 -1.6458 0.1482 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0168 -2.7616 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 -2.4910 -1.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -2.2607 -2.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.2433 -2.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6104 -2.0239 -3.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -3.1774 -4.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 -3.1774 -5.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 -3.1881 -4.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8764 -4.1937 -4.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -5.4126 -5.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 -6.7039 -4.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -7.0194 -3.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -6.0709 -2.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 -6.5178 -1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -6.6960 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -6.4648 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 -5.3172 1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 -5.2937 2.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 -6.4159 3.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -6.8748 4.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 -5.6933 5.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -6.0581 6.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 -7.1357 7.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 -0.4413 0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.7352 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 0.7659 -1.2664 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 2.0159 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.9078 1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 3.1729 2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 3.5603 1.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7114 4.8421 2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 5.3656 1.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 5.6685 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 6.1791 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3556 6.5685 -1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 5.5922 -2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 5.1384 -2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 6.2129 -3.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 5.6446 -3.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 5.2993 -2.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 6.5437 -2.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 6.1450 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 7.2446 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 8.3121 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2192 7.8833 1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9261 9.1529 1.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9143 8.7283 3.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6869 -2.7204 7.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 -3.2852 5.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9779 -2.9656 6.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -0.6018 7.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 -1.1809 5.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0143 -0.6591 6.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4348 0.1151 4.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 0.8622 3.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -0.5816 3.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2077 -2.1376 2.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6062 -1.3882 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5519 1.4065 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9122 1.1174 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9338 0.2440 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 1.2087 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9653 2.1697 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9341 3.0027 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0306 2.0928 -3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7675 0.3924 -4.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 -0.4861 -3.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4225 -0.3745 -4.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1808 -2.0298 -4.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8472 -3.8106 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -3.0768 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0295 -1.8164 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6609 -3.5674 -3.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 -5.5246 -1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7924 -4.6682 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3834 -6.3520 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -6.1896 0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5579 -5.9228 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 -1.5387 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 -2.3825 2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -1.4573 -0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 -3.7006 -0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 -2.9974 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 -1.0606 -3.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 -1.9794 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -3.1389 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -4.1551 -3.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 -2.1829 -5.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -3.9321 -6.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3319 -2.3189 -4.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8709 -4.0600 -4.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6291 -5.5729 -6.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 -5.2338 -6.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 -7.5707 -5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1654 -8.0944 -3.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3139 -6.0651 -2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 -5.0418 -2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 -6.6960 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -7.0125 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8557 -6.3716 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 -7.4417 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 -4.4064 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3711 -4.3573 2.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -6.0503 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -7.2953 2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 -7.2269 3.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9253 -7.7578 4.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 -5.3048 5.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 -4.9165 4.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 -6.4215 6.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 -5.1665 7.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3646 -8.0630 6.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 -6.7580 7.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -7.2654 8.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 2.2412 -0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6091 2.8339 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5762 1.6597 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 1.0827 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 3.1074 3.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2065 3.9912 2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 2.7680 2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 3.6602 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 5.5923 2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 4.6184 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 6.2617 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 4.5922 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 6.2566 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 4.6484 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0309 5.4367 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4859 7.0420 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 7.5411 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4465 6.9033 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5777 6.0044 -3.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 4.6853 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1505 4.6042 -2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 4.3755 -3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 7.0992 -2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 6.5319 -4.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9808 6.3627 -4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6446 4.7311 -4.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 4.6653 -2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 4.7281 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 7.1331 -2.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 7.1326 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 5.5333 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6231 5.4813 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 7.6585 -0.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 6.7507 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 8.9990 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2597 8.9749 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 7.2054 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 7.3935 2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 9.6158 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2069 9.8697 2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3507 9.6615 3.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 8.1371 3.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 8.0502 2.5326 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 2 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 49140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 73183 1 0 M END