HMDB0054647 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -4.3804 -1.5206 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 -0.3469 1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 0.8259 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 1.3867 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 0.9968 3.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 0.7352 5.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2177 -0.3001 5.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 -1.5904 5.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 -1.8859 4.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0501 -2.1300 3.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1941 -2.1280 4.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -3.4282 4.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 -3.6419 4.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -2.5847 4.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 -2.3966 5.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 -1.2972 5.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -0.0307 5.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 1.0185 5.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 2.1607 5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7721 2.5547 6.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 3.7998 6.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3909 3.2678 4.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 3.4595 3.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 2.6311 4.7067 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 2.1140 3.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 2.9167 2.4073 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4561 3.3728 1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 3.4044 0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 2.1588 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.1413 0.2728 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 1.8876 -1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 0.5180 -2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3547 0.0422 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 -1.2819 -3.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -1.9062 -5.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -2.2359 -5.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4109 -3.4062 -5.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 -4.6192 -5.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 -5.2766 -6.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -6.4869 -6.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4516 -7.5626 -5.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 -7.4115 -4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 -7.4806 -3.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 -7.7352 -3.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7159 -6.6028 -2.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3311 -6.7975 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -8.0696 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -7.9216 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8301 -9.1548 1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1268 -8.8710 2.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -7.7427 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 3.8977 2.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8479 3.9897 1.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 3.0958 1.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 5.0624 2.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 5.0437 1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 5.3741 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 6.7290 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 7.1993 -1.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7365 7.2970 -2.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 7.8209 -3.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 6.9985 -4.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 7.6326 -5.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 6.8707 -6.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 5.4900 -6.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 4.7452 -6.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 3.3762 -7.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6119 -1.9309 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 -2.3682 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 -1.1695 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -0.6675 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4174 -0.0335 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8951 1.2357 1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 2.2730 3.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5433 0.3084 3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5746 1.9765 3.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9078 1.6086 5.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 -0.2413 6.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -1.9211 6.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -2.3409 5.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 -1.9585 3.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -2.3511 2.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8463 -1.8517 5.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 -1.2992 4.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -4.2811 5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 -4.6446 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -3.1124 3.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5816 -1.7332 3.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -3.2963 5.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -1.3015 6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 -0.1992 4.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 0.2686 6.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 0.7624 4.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4205 2.8960 5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4379 3.0448 7.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 1.8524 7.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 4.0265 6.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 4.6545 6.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 1.4966 3.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 1.2656 3.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 2.1364 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8568 4.3639 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 2.6476 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 1.8724 -1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 2.6149 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -0.1758 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 0.5338 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 -0.1938 -3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 0.7675 -4.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -2.0226 -3.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1152 -1.1078 -3.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -2.7094 -5.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 -1.1178 -5.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -1.3882 -4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -3.6281 -5.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 -5.1707 -4.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -4.2279 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -4.6082 -7.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 -6.7630 -7.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -8.4857 -6.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 -8.0582 -5.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1939 -7.2607 -4.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 -7.3379 -2.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -8.7260 -2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 -7.6928 -4.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -5.6056 -3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8437 -5.9358 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5404 -8.1848 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 -8.9795 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 -7.0998 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 -7.6789 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -9.9957 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 -9.4305 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 -9.7772 3.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 -8.7054 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0032 -6.8866 3.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6822 -7.3537 3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -7.9934 4.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 6.0169 2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 4.8295 3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 3.9683 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 5.7242 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 5.4573 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 4.5637 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7603 6.7234 0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 7.4765 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0386 6.6028 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 8.2344 -1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 7.9216 -2.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 6.2524 -2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 8.8697 -3.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 7.9485 -4.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1559 5.9609 -4.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9206 6.9157 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 7.8196 -6.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 8.6443 -5.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 7.3629 -6.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 6.8273 -5.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9795 5.6157 -7.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1629 4.9090 -5.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 5.3376 -7.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6577 4.7731 -6.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 3.0664 -8.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 3.2942 -7.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 2.6123 -6.6768 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 2 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 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 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 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 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 51138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 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 67165 1 0 M END