HMDB0053024 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 169168 0 0 0 0 0 0 0 0999 V2000 3.5007 8.8942 -3.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 8.0330 -2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 6.8860 -3.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 5.6460 -2.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 5.2413 -1.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 4.5482 -2.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 3.3355 -2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 2.4903 -1.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 2.1737 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 0.9440 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -0.2675 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 -1.1149 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -1.4849 0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 -1.1699 -0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 -0.4429 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -0.9416 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 -2.2081 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 -2.1501 -1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 -1.4905 -1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 -1.4204 -2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9337 -0.8306 -3.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 -1.4940 -4.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 -2.6294 -4.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 -0.9132 -5.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -1.6947 -6.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 -1.9611 -6.4501 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1736 -0.7532 -6.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1235 0.3810 -6.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 0.5453 -4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.3548 -4.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 1.8432 -4.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 1.8106 -2.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 3.1021 -1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7648 3.4573 -2.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6446 2.3825 -1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5495 2.4857 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 3.7085 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 3.3788 1.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 3.9361 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 5.1041 1.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5431 6.2116 2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 6.8045 3.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4033 6.4342 3.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 7.7269 3.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 7.5335 3.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 8.8992 3.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9996 8.8541 3.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 -3.0689 -7.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 -4.2723 -6.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -4.3034 -5.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 -5.5042 -7.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 -6.6526 -6.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -6.6691 -5.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -7.8873 -4.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -7.8677 -3.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3574 -6.5754 -2.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 -6.9153 -1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -6.7801 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -6.2493 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -5.0271 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -4.7795 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -5.7053 3.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 -4.8572 3.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -5.5806 4.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 -4.6168 5.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6673 -5.2167 6.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6698 -4.1621 6.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 -2.9868 7.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2713 -3.3991 8.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 8.9073 -4.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 9.9242 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 8.5280 -3.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 8.6525 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 7.7456 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 7.0970 -4.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 4.8437 -3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 4.5992 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6519 6.1064 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1593 5.1208 -2.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8434 2.9441 -2.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 3.1021 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 1.6012 -1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 3.0039 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 0.8313 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3715 -0.1108 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8988 -0.8130 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7753 -1.4539 1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 -2.1128 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -2.0510 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 -0.4341 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 0.5566 0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 -0.2860 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -2.9125 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -2.7677 -1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 -1.6116 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9077 -3.2006 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -2.1504 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 -0.5218 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 -2.5022 -2.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 -0.9451 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7827 0.2842 -3.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0016 -0.8847 -4.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 -2.6882 -6.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0351 -1.2651 -7.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 -2.1715 -5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -0.9186 -6.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 -0.5963 -7.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 1.8899 -4.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 2.6616 -4.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 1.0058 -2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 1.5629 -2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0238 2.9556 -0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 3.9077 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 3.5712 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 4.4566 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 1.3771 -2.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1799 1.6026 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3463 4.5713 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9989 3.8835 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3086 2.5124 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 3.5799 3.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 5.4574 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 4.7999 2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5953 6.5203 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 7.6331 4.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 5.7019 3.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 6.2263 5.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 8.5287 4.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2587 7.9813 2.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 7.2768 5.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 6.8029 3.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 9.2181 2.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 9.6430 4.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5418 9.4955 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3758 7.7996 3.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2977 9.1855 4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 -5.3218 -7.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -5.7228 -8.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 -7.6017 -7.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -6.7454 -5.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -6.7925 -6.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -5.7252 -4.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3086 -8.8631 -5.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 -8.7922 -2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 -5.7556 -3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -6.3447 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -7.2909 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -7.0356 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2224 -5.8642 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 -7.0158 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9639 -4.2761 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 -3.8722 2.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0847 -5.9186 3.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 -6.6147 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2035 -4.0297 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 -4.3977 2.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -5.9502 5.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 -6.4270 4.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -3.7139 5.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -4.2871 4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 -5.6849 6.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 -5.9801 5.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 -4.5664 7.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -3.7927 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 -2.2525 7.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -2.4750 6.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -2.5065 8.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -4.1717 8.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 -3.7611 9.1126 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 69169 1 0 M END