HMDB0044876 RDKit 3D TG(18:0/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 161160 0 0 0 0 0 0 0 0999 V2000 8.2032 -8.9956 -2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -9.9004 -2.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 -9.2294 -3.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4879 -8.7006 -4.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6984 -8.0824 -6.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8011 -6.8248 -6.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7259 -5.8924 -5.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0024 -4.6912 -5.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9944 -5.0551 -4.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 -3.8113 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6627 -3.0324 -4.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 -1.7784 -4.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -2.0546 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 -0.7633 -2.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 -0.7294 -1.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 0.4108 -3.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 1.6426 -2.6633 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2269 2.5530 -3.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 2.1344 -4.8092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 1.6621 -4.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 1.5407 -3.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 1.2938 -5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 0.2503 -5.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1936 -1.0297 -5.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 -1.6407 -4.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -1.2134 -2.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0463 -2.2186 -2.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 -2.8700 -1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 -2.6506 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 -2.1754 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -1.7903 1.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 -1.7866 1.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5552 -2.7158 2.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4344 -2.4441 3.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9405 -1.0469 3.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4042 -1.1227 3.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2494 -0.7503 4.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -0.2211 5.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3185 -1.2348 6.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9653 -0.8161 7.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3946 -1.8543 8.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8747 -2.1357 8.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 2.3446 -1.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 1.6800 -0.5092 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 2.1547 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2922 3.1538 -0.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 1.5952 1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0853 1.9746 2.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 3.4087 3.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3532 4.2977 2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8632 3.9056 2.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 4.7313 1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 6.2326 1.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 6.9518 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 6.8714 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 7.5407 1.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 7.3480 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2147 6.2941 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 4.8762 3.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 4.1179 2.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 2.6614 2.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 1.9152 4.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 1.8238 4.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -9.3040 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1790 -9.0623 -2.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7905 -7.9700 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4728 -10.2379 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7353 -10.8109 -3.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -8.4366 -3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8991 -10.0011 -4.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2276 -8.0690 -4.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 -9.5969 -5.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -8.7311 -6.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1703 -6.4235 -7.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4964 -6.2972 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3232 -5.4244 -6.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -4.1205 -6.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7873 -4.0204 -4.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 -5.6669 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 -5.6847 -3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 -3.1726 -3.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 -3.9890 -2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -3.6541 -5.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -2.6549 -5.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 -1.2818 -5.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 -1.0774 -3.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -2.5461 -2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 -2.6428 -3.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5467 1.4761 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 3.5166 -3.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 2.8185 -4.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1163 0.8857 -6.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 2.2151 -6.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 0.0885 -6.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 0.6884 -4.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -1.4963 -6.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -2.6204 -4.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -0.7884 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 -0.3065 -3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -2.3811 -3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6930 -3.5864 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 -3.7758 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -2.2752 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -2.1300 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 -1.4178 2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3014 -0.7562 1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3391 -2.0235 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -3.7668 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8464 -3.2341 3.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 -0.2768 2.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7428 -0.8315 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8109 -1.5064 2.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3489 -0.8448 3.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7892 -0.0406 5.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3975 0.7641 5.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4083 -1.3808 6.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8415 -2.2288 6.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5400 0.1201 8.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8872 -0.6323 8.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8966 -2.8293 8.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0779 -1.5898 9.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1006 -2.7142 8.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4861 -1.2401 9.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0727 -2.7733 9.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 3.3763 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4558 2.4912 -2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8672 0.4593 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 1.7610 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 1.5556 2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5403 1.4167 3.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1726 3.7624 3.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 3.5673 4.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 4.3587 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 5.3769 2.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 4.0568 3.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 2.8399 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 4.3761 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5305 4.5470 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 6.4619 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 6.5516 2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 8.0563 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7439 6.6076 -0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 5.8510 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3857 7.4231 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 8.7050 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 7.4337 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 8.3259 3.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6776 7.6730 3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 6.6391 5.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 6.3610 4.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1503 4.3874 4.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 4.7904 3.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 4.5311 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5573 4.1591 2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 2.7241 2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 2.2188 1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 2.3882 4.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 0.9045 3.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4723 1.8194 3.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 2.6304 4.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 0.8690 4.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 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 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 1 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 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 63161 1 0 M END