HMDB0052898 RDKit 3D TG(18:3(6Z,9Z,12Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -4.6115 6.7913 1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 5.9857 2.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7584 6.0888 3.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3792 6.5595 4.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 7.0838 5.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3562 6.3542 6.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2514 5.7141 6.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 5.5647 4.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 4.1266 4.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 3.5740 4.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 4.2859 5.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 4.1221 4.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 5.0282 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 6.3904 3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 6.8290 2.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 7.0311 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 6.8326 1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 5.8647 0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 5.3972 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 4.5361 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4081 3.2357 1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 2.3587 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 1.0947 0.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 2.7330 -1.1383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 1.7610 -2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 2.5029 -3.4602 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4790 3.4222 -3.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 2.5745 -2.8436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 3.1734 -2.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 4.4232 -2.5553 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 2.3484 -2.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 2.2164 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 1.5499 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6579 0.1314 -0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 -0.7017 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8023 -1.7901 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -2.3142 1.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -2.3269 2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 -3.4178 3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4364 -4.7853 2.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -5.3132 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -5.7068 2.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -5.6632 1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 -7.0764 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -7.9807 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -9.3538 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -9.2493 -1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 3.3537 -3.7593 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 3.3452 -4.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0276 2.5356 -5.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 4.2177 -5.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8298 3.3968 -5.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 2.6855 -4.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4758 1.8978 -4.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 0.8648 -5.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 -0.2123 -5.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 -0.9378 -4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -1.9813 -3.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 -3.2053 -4.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -3.0814 -5.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -4.4292 -6.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 -5.3645 -5.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -6.7206 -6.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -7.5700 -4.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -7.7541 -3.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -8.4122 -3.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4518 -8.4938 -2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8763 6.8473 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4882 6.2470 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8687 7.8154 1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9775 4.9285 2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 6.3985 2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8035 5.7141 3.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 6.5842 5.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 7.3027 4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 8.1448 5.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 6.3884 7.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 5.2093 7.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 6.2039 4.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 5.9401 4.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 3.5007 4.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 2.4878 4.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 5.3295 5.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4624 3.7989 6.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 3.0861 4.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 4.8145 2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 7.0266 4.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4699 6.6045 3.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6131 7.0007 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 7.3973 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 7.7927 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9043 6.2912 2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 5.0693 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 6.4485 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 4.9791 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 6.3252 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 5.0738 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 4.2859 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 2.6950 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 3.4286 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 1.0087 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 1.2827 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 1.8559 -4.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 4.0294 -4.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 4.0872 -2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 2.9535 -2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 1.3927 -2.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 1.6914 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0913 3.2409 -0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 2.1189 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 1.4638 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6987 -0.2803 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 0.2233 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8094 -0.3627 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 -2.3041 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -3.2866 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -1.6622 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -1.3912 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 -3.3966 4.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 -5.3975 3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5668 -4.8978 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 -5.3613 4.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 -6.0997 3.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 -5.1065 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -5.1648 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -7.4590 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 -7.0289 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0277 -7.6468 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0176 -8.1018 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 -9.8353 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 -10.0013 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -10.1514 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 -9.0514 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 -8.3616 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 5.0283 -4.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 4.7876 -6.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6745 4.1056 -5.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7368 2.6330 -6.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4529 3.4439 -3.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 2.0433 -3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3256 2.5857 -4.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7682 1.4380 -3.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 1.2867 -6.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3713 0.3185 -5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 0.1409 -5.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -0.9418 -6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6546 -1.3895 -4.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 -0.1865 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -2.3591 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7832 -1.5125 -3.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -3.8804 -3.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -3.8225 -4.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 -2.7465 -5.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9786 -2.3320 -6.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 -4.7811 -6.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 -4.3087 -7.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 -4.8975 -4.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 -5.5247 -4.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -7.1510 -6.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -6.5363 -6.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 -8.5815 -5.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2064 -7.0550 -4.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 -8.4822 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -6.8549 -3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -9.4488 -4.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -7.8549 -4.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 -7.7292 -2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 -9.4752 -2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 -8.3221 -1.7082 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 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 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 26 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END