HMDB0052345 RDKit 3D TG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 181180 0 0 0 0 0 0 0 0999 V2000 10.8593 3.0302 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3628 3.7903 -4.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5823 5.2380 -4.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6682 6.1465 -4.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1989 5.8844 -4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 6.3075 -3.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 5.5248 -2.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 4.0606 -3.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 3.7852 -3.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3663 2.9388 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6315 2.0298 -1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 1.9173 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 2.2430 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 2.7786 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 4.1950 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 5.2504 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 5.3436 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 6.1131 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 6.3253 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 5.1773 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 4.0588 -0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 5.2973 -0.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 4.4534 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 3.1572 0.4205 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4867 2.6228 0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 2.2411 -0.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 1.2208 -1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 0.6258 -1.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 0.8570 -2.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8549 1.8302 -2.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7908 1.4479 -3.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3913 0.0737 -3.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3599 -0.3931 -4.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1341 -1.6015 -3.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5330 -2.8952 -3.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7784 -3.0092 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2567 -4.4313 -2.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4718 -4.5147 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2716 -4.1709 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -4.2362 1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -3.2362 1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 -1.8960 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 -0.8873 2.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7474 -0.8495 3.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 -0.3821 4.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5383 -1.1835 5.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1911 -2.4161 5.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4629 -3.5170 5.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3063 -4.6581 6.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 -5.7962 5.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -6.3926 4.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4853 3.3493 1.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 2.4947 1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 1.6447 1.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4071 2.3749 3.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7631 1.5926 4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 0.2504 3.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -0.5593 4.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -1.7858 5.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -2.5041 4.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -2.8679 5.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5769 -2.4869 4.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.6528 3.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7233 -2.4544 2.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3864 -2.7483 1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1216 -2.3113 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -3.5354 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0197 -3.8500 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -2.9804 -2.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 -3.8342 -2.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 -4.0744 -4.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 -3.5440 -4.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -4.7612 -5.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0988 2.3509 -2.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2343 3.7045 -2.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 2.4022 -3.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3076 3.5331 -4.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9196 3.4228 -5.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6431 5.5368 -4.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9815 7.1915 -4.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9525 6.6425 -5.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 4.9241 -4.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 7.4026 -3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 5.9255 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0328 3.8760 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 3.5595 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6307 4.3851 -4.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 2.9250 -3.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8546 2.2766 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 0.9778 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.4639 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 2.1130 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6685 2.1693 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 2.7968 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0162 4.3069 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 6.2169 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 5.8860 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 4.3447 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 7.0837 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 5.5692 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 6.9928 -1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 7.0164 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 4.2531 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 4.9923 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5731 2.4197 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 3.4257 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 1.7372 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 -0.2007 -2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1482 0.8871 -3.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4758 1.8282 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 2.8814 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 2.1774 -3.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2058 1.3571 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4759 -0.6153 -3.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 0.0641 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0729 0.4767 -4.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7835 -0.4924 -5.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9036 -1.3348 -3.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8833 -1.8012 -4.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8968 -3.2067 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3691 -3.6644 -3.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9318 -2.3363 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4436 -2.7246 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5584 -4.6671 -2.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0955 -5.1370 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 -3.8917 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1157 -5.5705 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8096 -3.2115 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 -4.9448 0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 -5.2616 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2234 -3.9248 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6468 -3.3671 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 -3.5661 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 -1.7227 0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0070 0.1156 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 0.0089 3.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 -1.6853 3.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -0.1371 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 0.6752 4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1492 -0.5443 5.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3569 -1.4052 4.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 -2.8302 6.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 -2.0815 6.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -3.3098 4.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 -3.9891 4.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -4.2091 7.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3077 -4.9547 6.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 -5.3975 5.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -6.5791 6.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 -6.2769 4.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -7.4971 4.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 -6.0281 3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 3.3698 3.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 1.8916 2.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 2.1991 4.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 1.3671 5.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 0.5441 3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -0.2152 3.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 -0.1313 5.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.3451 6.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 -3.5327 4.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -2.0552 3.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -3.4880 5.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4046 -2.8420 5.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 -0.7840 3.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 -1.2420 3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 -2.8444 2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 -3.3556 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 -1.6524 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 -1.6971 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1443 -4.1965 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -4.7981 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -2.6872 -2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9411 -2.1063 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 -4.2603 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4126 -4.7275 -4.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9426 -2.8308 -4.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -3.1126 -5.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 -5.4465 -4.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 -5.2625 -6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -4.3773 -5.4314 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 2 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 2 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 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 50148 1 0 50149 1 0 51150 1 0 51151 1 0 51152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 71176 1 0 72177 1 0 72178 1 0 73179 1 0 73180 1 0 73181 1 0 M END