HMDB0047481 RDKit 3D TG(24:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -5.0769 -0.2660 -12.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6803 0.7945 -11.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 0.4961 -10.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5295 0.2707 -9.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6729 0.2869 -8.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7680 -1.0237 -7.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2034 -1.1784 -6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6503 -0.0039 -5.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0667 -0.2244 -5.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5652 -0.3083 -4.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6877 -0.1747 -3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1806 0.9805 -2.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6434 0.8950 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7284 -0.3747 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9566 -0.2873 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9603 -1.0429 1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4291 -2.1158 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9494 -1.8799 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7188 -0.5541 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -0.3385 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4091 -1.2339 -0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 0.9230 -1.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 1.3258 -1.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 2.8675 -1.6648 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2134 3.2868 -2.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 2.6462 -3.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 3.0269 -3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 3.9517 -2.9296 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4132 2.4957 -4.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 2.9586 -4.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3947 2.3985 -3.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 2.8933 -2.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 2.5825 -3.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1293 3.2016 -3.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 2.6862 -1.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7995 3.3874 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3763 2.9829 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6571 3.0845 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 2.2579 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 0.7708 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7198 0.2911 2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1054 -1.1271 1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9557 -2.1255 1.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -3.5042 1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 -4.6234 1.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 -4.6331 2.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 -5.7242 3.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 -6.0876 2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 -6.6519 0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -7.0177 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2051 -5.8515 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 3.5053 -0.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 4.1705 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 4.3079 -0.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 4.7673 1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 3.7774 2.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 3.0082 2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 2.0746 3.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 2.1699 3.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 3.1801 3.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 2.9410 2.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9832 1.9057 2.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 0.5062 2.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 -0.3350 3.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 -1.0810 4.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -1.2164 4.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -2.5880 4.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -2.9124 4.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5085 -1.9392 3.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 -1.8101 4.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2957 -1.3610 6.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4815 -1.1697 7.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9856 -0.7331 8.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 -0.1636 -13.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 -1.2582 -11.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -0.0705 -12.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6554 1.7541 -11.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9721 0.9311 -10.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7654 0.4665 -11.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6059 0.0551 -9.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5982 0.5052 -8.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0041 1.1556 -7.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4522 -1.9405 -8.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2568 -2.1544 -6.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6033 0.9661 -6.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9483 0.0768 -4.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7588 -0.3252 -6.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6236 -0.4753 -4.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7464 -1.1291 -2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6397 0.0703 -3.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1468 1.9526 -2.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9999 1.8075 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5754 -1.2851 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8539 -0.4783 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2934 0.5027 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 -0.8488 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 -3.0791 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9586 -2.2921 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4692 -1.8330 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4736 -2.7385 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1373 0.2488 0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1969 -0.5184 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2382 0.8244 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.0427 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 2.9858 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 3.0696 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 4.3808 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 1.4215 -4.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 3.0161 -5.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 4.0470 -4.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 2.5712 -5.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 2.4011 -2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 1.2817 -3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6999 4.0193 -2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 2.4952 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0003 1.4960 -4.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 3.0156 -4.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 4.3008 -3.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 3.0413 -4.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7384 1.6028 -2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7575 2.9221 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6511 4.5095 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 3.1809 -2.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8273 1.9243 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3602 3.5771 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3338 4.1644 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 2.8713 1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2339 2.3912 2.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 2.6030 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 0.2591 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0857 0.5329 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3269 0.4475 3.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6668 0.8988 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8396 -1.3811 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -1.2490 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2267 -1.9090 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 -2.0340 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1827 -3.5284 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 -3.6860 2.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0549 -5.5626 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -4.3409 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 -4.6518 3.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1716 -3.6147 3.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -5.4885 4.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 -6.6407 3.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -5.2719 2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -6.9077 2.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 -7.6682 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -6.1355 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -7.4710 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 -7.8171 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 -4.9198 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -6.0221 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 -5.7013 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 5.4227 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 5.4315 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7073 4.3554 3.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6361 3.1262 2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 2.3051 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 3.6577 1.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 1.2737 3.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 1.4441 4.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4003 3.7401 4.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 4.0823 2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 3.9006 2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 2.0393 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 0.2390 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 0.4649 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 -0.3445 2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 -1.7034 4.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -1.0122 5.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4295 -0.4508 4.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -3.3787 5.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -3.9625 4.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -2.3673 2.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 -0.9473 3.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 -1.0263 4.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -2.7686 4.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 -2.2212 6.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 -0.4797 6.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 -2.0831 7.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1286 -0.3219 6.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -0.2159 9.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 -1.6032 9.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 0.0261 8.3731 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 1 0 36 37 1 0 37 38 1 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 24 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 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 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 6 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 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 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 50150 1 0 50151 1 0 51152 1 0 51153 1 0 51154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 72181 1 0 72182 1 0 73183 1 0 73184 1 0 73185 1 0 M END