HMDB0043175 RDKit 3D TG(15:0/14:1(9Z)/22:1(13Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -5.4350 2.2129 4.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 0.9419 5.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5198 -0.0941 5.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9693 -0.6231 3.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 0.3041 2.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 0.1161 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 -0.9463 1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9364 -0.4882 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 0.3887 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4435 0.8308 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.3464 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -1.2317 -1.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 -0.7629 -3.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 -0.3402 -3.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0196 -0.3444 -5.2031 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 0.0648 -3.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.3973 -4.3031 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5426 -0.5759 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 -1.8507 -3.9354 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -3.0325 -3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -3.1058 -3.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7367 -4.2364 -3.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 -4.4496 -2.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 -5.4544 -1.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 -5.7892 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 -4.6011 0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 -3.8212 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 -2.5356 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -2.2399 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 -2.3100 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -1.8804 4.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 -2.5053 5.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 -2.6375 6.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -2.0619 7.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -1.2177 8.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 0.0928 8.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 0.9800 7.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.5673 6.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1663 2.4531 7.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 2.9812 5.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 3.8873 6.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 4.4220 4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 1.7351 -4.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 2.8477 -4.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 3.1538 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8263 2.3442 -2.3505 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 4.3983 -3.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 4.1075 -4.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 5.3375 -4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 5.1420 -5.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9218 4.0247 -4.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 3.8066 -5.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 3.4633 -6.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 2.2020 -6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 2.0389 -8.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 0.8016 -8.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -0.4554 -8.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 -1.6770 -8.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -2.9470 -7.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -2.9279 -6.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3286 3.0882 5.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 2.3592 4.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5872 2.3684 4.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9009 1.1969 6.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 0.5348 6.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 -0.9566 5.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 0.2411 4.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4917 -1.5815 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0656 -0.9817 4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7535 1.1796 2.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4509 0.8813 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -1.7154 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -1.5050 0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -1.4336 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 0.0327 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3952 0.0070 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 1.3466 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 1.4190 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 1.5214 -1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 -0.9143 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 0.0481 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9316 -1.7834 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -2.1103 -1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6753 -1.5345 -3.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 0.1213 -3.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 0.2806 -5.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -0.2884 -3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2735 -0.4229 -4.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 -4.0001 -3.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1136 -5.1077 -4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 -4.6808 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 -3.4237 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7203 -5.1715 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -6.4362 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -6.4752 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 -6.3082 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -5.0982 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 -4.0649 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 -4.5233 1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 -3.8076 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -2.2328 1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4419 -1.7168 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -1.2177 3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -2.9516 3.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 -3.2740 2.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4755 -1.5809 2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0411 -2.0055 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 -0.7296 4.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 -2.1354 6.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -3.5969 5.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 -3.2354 5.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -2.2174 7.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 -0.9530 7.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 -1.7975 9.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 -0.1606 9.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 0.6408 9.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0253 0.4938 7.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 1.8736 8.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 2.2805 5.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 0.8630 5.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4086 1.9130 7.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 3.3055 7.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 2.1018 5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 3.4725 5.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 4.6979 6.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 3.2776 6.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 5.5284 4.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 3.9861 3.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 4.2088 4.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7806 1.8709 -4.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5532 1.7204 -3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 5.2251 -3.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9521 4.7111 -2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5096 3.3003 -3.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 3.7889 -5.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1449 5.5932 -3.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 6.2156 -4.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 6.0708 -5.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 4.8740 -6.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3639 3.0652 -4.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 4.3062 -3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8318 4.7109 -5.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7554 2.9834 -4.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 4.2615 -7.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9373 3.2161 -7.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 2.2560 -6.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 1.3406 -6.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8466 2.0326 -8.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 2.9167 -8.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8507 0.6641 -9.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0804 0.9799 -8.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -0.4360 -6.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 -0.5958 -8.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6658 -1.8133 -9.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 -1.5924 -7.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 -3.2000 -8.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 -3.7651 -8.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8753 -2.8212 -6.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 -2.1090 -5.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -3.8791 -5.8749 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 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 1 0 28 29 1 0 29 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 17 86 1 6 18 87 1 0 18 88 1 0 22 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 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 42127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 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 60160 1 0 M END