HMDB0043514 RDKit 3D TG(15:0/20:4(5Z,8Z,11Z,14Z)/20:0) 168167 0 0 0 0 0 0 0 0999 V2000 7.6056 6.9977 4.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2704 6.2635 5.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2012 5.4190 6.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 4.4482 5.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5299 3.5649 6.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 2.8033 7.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 1.5066 7.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 0.6224 6.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7211 -0.3126 6.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 -0.3968 6.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 0.4505 5.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6512 1.1324 6.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4295 0.9452 5.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0286 0.0926 4.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 0.9430 3.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9255 0.6401 3.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6039 -0.5529 3.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8889 -1.4876 2.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 -0.8588 1.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -1.7439 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 -1.4007 -0.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7218 -2.9385 0.4556 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6917 -3.6702 -0.7952 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7957 -4.9306 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 -5.5869 -1.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 -4.9279 -2.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 -3.7988 -2.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 -5.3907 -4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -4.8945 -4.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -5.5604 -3.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -5.1746 -3.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -5.9547 -1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -5.6508 -1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5862 -4.1808 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 -3.8325 -1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9082 -4.0805 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -3.2932 -3.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 -1.8225 -3.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -0.9617 -4.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 -1.1934 -4.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 -0.2841 -6.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 -4.2044 -1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0426 -3.3393 -1.4077 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0562 -2.2880 -2.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -2.0260 -2.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3064 -1.4929 -2.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2549 -0.3392 -3.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 0.7353 -2.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3139 1.8354 -3.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4207 2.9562 -3.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4096 4.0578 -4.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8185 3.6389 -5.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3499 3.2433 -5.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5579 4.4036 -5.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1319 4.0001 -4.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9848 2.9075 -3.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 2.5422 -3.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 1.4415 -2.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 0.9588 -2.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 2.0697 -1.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 2.6681 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 3.7612 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1925 4.3907 1.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 4.9997 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 7.7905 4.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3939 6.3151 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6171 7.4129 5.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6378 6.9887 6.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 5.5604 5.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 4.9008 7.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4470 6.1117 6.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1329 5.0041 4.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 3.7842 5.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8096 4.2721 6.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9673 2.9928 5.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6033 3.3906 8.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7527 1.0645 8.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -0.0549 6.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 1.1166 5.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1022 -0.9863 7.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.1464 7.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 1.1880 5.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 -0.2413 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8178 1.7935 7.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3634 1.4840 6.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 -0.7521 5.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 -0.3745 4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 1.8331 3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.3158 2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2881 -1.0469 4.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6664 -0.1844 4.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3913 -2.4139 2.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 -1.7210 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4578 0.1266 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8103 -0.6693 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 -3.1041 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -4.5804 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2921 -5.5783 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -4.9208 -4.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 -6.4742 -4.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8981 -3.8057 -4.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 -5.2347 -5.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 -6.6744 -3.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 -5.3273 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8313 -5.4308 -4.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -4.0888 -2.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 -7.0358 -2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 -5.6223 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 -6.2829 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 -5.9183 -2.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -4.0282 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -3.5016 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -4.4302 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 -2.7849 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0095 -5.1575 -2.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9536 -3.7714 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 -3.6015 -4.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3244 -3.5316 -4.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 -1.5969 -2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6634 -1.5692 -2.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0534 -1.1794 -5.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 0.1048 -4.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7765 -2.2592 -5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 -0.9414 -4.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 -0.9256 -7.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 0.1755 -6.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 0.4727 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8079 -4.7229 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -5.0676 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5967 -1.1080 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1249 -2.1776 -2.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2901 0.0970 -3.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 -0.6495 -4.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 0.3004 -2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5308 1.1745 -1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3576 2.1901 -4.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9277 1.3791 -4.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7874 3.3939 -2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3861 2.5746 -3.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9717 4.9587 -4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4874 4.2879 -4.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9395 4.4128 -6.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3417 2.7419 -6.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2797 2.3484 -5.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9705 3.0046 -6.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 5.2690 -5.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9424 4.8259 -4.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 3.6820 -5.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 4.8650 -4.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 1.9596 -4.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 3.2110 -2.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0665 3.4244 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 2.1426 -4.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 0.6171 -3.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0824 1.8513 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6528 0.2026 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 0.4153 -3.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 2.8624 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 1.6760 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 1.9193 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 3.1785 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 3.3523 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 4.5645 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 5.1820 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 3.6333 2.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 4.3270 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 5.3130 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 5.9389 1.6336 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 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 2 0 26 28 1 0 28 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 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 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 63 64 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 6 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 63164 1 0 63165 1 0 64166 1 0 64167 1 0 64168 1 0 M END