HMDB0043710 RDKit 3D TG(15:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 158157 0 0 0 0 0 0 0 0999 V2000 3.5822 2.4002 -3.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 2.1855 -4.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 2.6127 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 2.1623 -6.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 0.7907 -6.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 -0.0840 -6.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.1150 -6.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 1.2470 -5.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 1.9170 -6.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 3.2047 -6.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 4.2079 -5.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5108 5.2768 -5.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 5.4219 -3.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 4.5398 -3.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 3.9404 -2.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 3.9329 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2933 4.4644 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 3.3019 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4677 2.5241 1.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 1.8562 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 2.0174 1.9698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 0.9695 0.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 0.4181 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2517 -0.5260 -1.2099 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6436 -0.6444 -1.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 0.6319 -1.7183 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4074 1.1096 -2.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1993 0.3988 -2.6975 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 2.5761 -1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3033 2.4635 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 3.7669 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1316 3.5828 1.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4803 2.4344 2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0344 2.1583 3.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 0.9043 4.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5719 -0.2633 3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8478 -1.5081 3.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2296 -2.6416 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5762 -3.9327 3.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 -5.0465 2.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4204 -5.2822 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7753 -6.4163 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -1.7080 -1.0749 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -2.3220 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.6087 -2.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 -3.6750 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -3.9589 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.4760 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 -2.0204 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -1.8651 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4486 -0.4642 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 -0.4702 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7239 -0.2880 1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 -0.0795 2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5226 -0.9697 3.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9597 -2.2608 3.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -2.9550 2.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 -4.0182 1.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -4.6679 2.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 -4.4067 3.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8285 -5.7722 4.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -5.9045 5.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -4.9787 6.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 -5.4742 6.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 1.4740 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 2.8960 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 3.0883 -3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 2.8243 -4.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 1.1119 -4.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 3.7474 -5.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 2.7359 -6.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 0.8125 -7.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 0.2423 -6.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 -1.0846 -7.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 -0.7736 -6.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1937 0.7996 -4.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 1.9321 -5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 1.2774 -6.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 3.5922 -7.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0459 3.8489 -5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 4.7468 -6.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1954 5.9471 -5.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8134 6.2099 -3.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 3.8144 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 5.2650 -2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 3.4951 -2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 3.4968 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 5.1199 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 5.0690 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 2.6050 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 3.6847 0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 3.1452 2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 1.7001 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 1.2647 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -0.0798 0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 0.0326 -2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -0.9625 -2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 -1.4548 -1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8077 3.1802 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4167 2.9062 -2.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2887 1.9912 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6933 1.7280 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0933 4.4980 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4895 4.2962 0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2242 3.4892 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9081 4.4994 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7394 1.5246 1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 2.4890 2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8988 2.9640 4.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0855 1.8191 3.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1918 1.2223 4.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4634 0.7045 5.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6881 -0.4303 3.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3495 -0.2019 2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2449 -1.7687 4.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7585 -1.3736 3.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3394 -2.7243 3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9607 -2.3864 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -3.7668 3.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8099 -4.2238 4.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6378 -4.7256 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 -5.9288 2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7873 -5.5767 3.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9238 -4.3646 2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5019 -6.0651 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8722 -6.8192 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3335 -7.2387 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -4.1376 -2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 -4.2639 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1955 -3.6645 0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 -5.1100 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6884 -3.8562 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -3.9871 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 -1.6921 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -1.3803 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 -2.2392 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 -2.5682 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -0.1238 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 0.1726 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3673 -0.6269 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7804 -0.2691 0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8426 0.9281 2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 0.3274 2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 -0.6113 4.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 -2.7301 4.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6839 -2.2218 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -3.4712 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 -4.4276 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -5.4530 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 -4.3195 3.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1589 -3.6617 4.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 -6.5784 3.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4003 -6.9716 5.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2235 -3.9313 6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0023 -5.1328 7.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3032 -5.1086 5.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7877 -6.5989 6.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2734 -5.1249 7.1376 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 41 42 1 0 24 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 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 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 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 42127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 56145 1 0 57146 1 0 57147 1 0 58148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 62153 1 0 63154 1 0 63155 1 0 64156 1 0 64157 1 0 64158 1 0 M END