HMDB0055672 RDKit 3D TG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 169168 0 0 0 0 0 0 0 0999 V2000 7.0747 7.4084 19.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7899 7.9125 18.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 8.5476 17.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 8.1413 16.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7274 6.9897 15.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 6.0257 15.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9455 5.6519 13.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6482 6.1948 13.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 6.9146 12.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4049 6.7028 10.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 5.6852 10.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 4.7126 9.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 4.5890 8.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 5.4279 8.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 4.6772 8.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 4.7730 7.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8073 5.6567 5.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6817 4.9200 4.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 3.8776 4.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 3.1985 3.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 2.5517 2.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 1.9762 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 1.9066 1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 1.5031 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 0.9753 -0.7374 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4486 1.8590 -1.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 1.4280 -3.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5006 1.5424 -3.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 2.0349 -2.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 1.1688 -4.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7496 1.0165 -3.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -0.2131 -2.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 -1.3808 -3.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -2.3833 -3.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 -2.4568 -3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -3.7903 -2.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 -4.7321 -2.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6243 -4.6099 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8453 -5.5306 -4.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7969 -6.4255 -4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7756 -6.6147 -3.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 -6.3507 -3.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -5.5080 -2.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 -4.7411 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5070 -5.1324 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2409 -4.2434 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 -2.7956 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9019 -2.0332 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -0.4041 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 -0.8509 -2.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 -2.0613 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3116 -2.8191 -1.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5132 -2.5737 -4.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 -2.2189 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9249 -2.6474 -6.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 -2.2013 -6.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 -2.5942 -8.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 -2.0320 -8.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4362 -2.4136 -9.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5396 -3.1279 -9.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4153 -3.5908 -8.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4917 -5.0698 -8.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6115 -5.7407 -9.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9447 -5.1387 -9.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5863 -5.5525 -10.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6943 -6.2358 -10.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4048 -6.6629 -9.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7656 -6.0758 -9.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2711 -5.2794 -8.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5119 -4.8632 -7.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2906 -5.3293 -5.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3926 8.0400 19.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9148 7.4881 18.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9925 6.3541 19.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9901 7.1980 18.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 8.7596 19.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8261 9.4128 17.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 8.6437 15.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 6.4529 16.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 7.4434 15.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3808 5.5851 15.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4556 4.9322 13.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 5.2483 13.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0405 6.7507 14.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 7.7360 12.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 7.3313 10.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 6.0884 10.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 5.0245 11.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 4.0925 9.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 3.8884 7.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 6.2379 9.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 6.0020 7.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6046 3.9779 8.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 4.1248 7.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 6.2658 5.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 6.3708 5.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 5.6947 3.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 4.5099 4.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2262 3.1459 5.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3655 4.3963 4.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 2.3436 3.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 3.8255 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 3.2346 2.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 1.7237 3.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 0.9522 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 1.6079 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2859 2.9244 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 2.0879 -5.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 0.3208 -4.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 0.7855 -4.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 1.8737 -3.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9839 -0.0912 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 -0.2336 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 -1.4180 -4.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 -3.2637 -4.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6502 -1.7166 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4588 -2.3701 -3.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 -3.9414 -1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1484 -5.6575 -1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7003 -3.5794 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 -4.5926 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 -5.5091 -5.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9001 -7.0855 -5.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7462 -7.7728 -2.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4593 -6.2560 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4381 -6.9241 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9646 -5.3316 -3.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7305 -3.6733 -2.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5342 -4.7929 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 -6.1932 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9114 -4.6510 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9173 -2.4013 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4329 -2.5756 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 -1.9132 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5054 -1.1174 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2361 -2.6909 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 -0.4762 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 -1.1182 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6749 -2.0636 -4.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 -3.6515 -4.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 -1.1076 -4.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 -2.6525 -4.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9177 -3.7661 -6.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 -2.3089 -6.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0672 -2.5692 -6.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -1.0640 -6.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5748 -3.6887 -8.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 -2.1379 -8.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8094 -0.9137 -8.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6019 -2.3088 -7.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 -2.1426 -10.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8359 -3.3955 -10.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1126 -3.2363 -7.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3960 -3.0850 -9.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5602 -5.6205 -8.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5733 -6.8538 -9.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9129 -4.0124 -9.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5300 -5.3414 -8.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0825 -5.2562 -11.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1307 -6.5144 -11.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6280 -7.8040 -9.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8827 -6.6379 -8.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4481 -6.3077 -9.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2991 -4.8910 -8.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4942 -5.2503 -6.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4166 -3.7522 -6.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6645 -6.3649 -5.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1485 -4.6664 -5.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6021 -5.3056 -4.9233 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 2 0 28 30 1 0 30 31 1 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 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 1 26106 1 0 26107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 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 60152 1 0 61153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 66160 1 0 67161 1 0 67162 1 0 68163 1 0 69164 1 0 70165 1 0 70166 1 0 71167 1 0 71168 1 0 71169 1 0 M END