HMDB0071196 RDKit 3D TG(10:0/17:0/20:0) 152151 0 0 0 0 0 0 0 0999 V2000 -5.3795 -5.8550 4.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -4.4255 4.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7535 -4.3929 2.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 -5.2343 2.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3082 -4.7380 3.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 -5.6146 2.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 -5.7610 1.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -4.5191 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 -4.8534 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9336 -5.4027 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0666 -4.4098 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -5.0509 -2.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3078 -4.1294 -2.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 -3.5196 -1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1065 -2.6635 -2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8486 -1.9032 -0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9002 -0.9329 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 0.0625 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3445 0.9539 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 1.9518 -1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 2.3598 -2.4572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 2.4113 -1.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 3.3535 -2.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3773 3.4013 -1.8409 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4551 4.2067 -2.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 4.0282 -2.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 4.6225 -3.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 5.3185 -4.2434 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 4.4732 -2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7241 3.1180 -2.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 2.0308 -3.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 1.7393 -4.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2768 0.5523 -5.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 0.2008 -5.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 1.3172 -6.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 0.7484 -6.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9907 1.7465 -7.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 2.0188 -1.9213 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 1.4420 -0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 2.2070 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 0.0362 -0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -0.6570 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -0.8315 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0965 0.3415 1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 1.0755 2.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 2.3164 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 3.0291 4.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 3.4284 3.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0985 4.1504 4.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 3.4096 6.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 2.0893 6.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 2.0731 5.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 0.6561 5.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1567 0.3211 4.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3907 0.5722 3.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3114 2.0065 2.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 -6.2451 4.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7321 -6.4121 3.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 -5.8247 5.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0537 -3.8676 4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3374 -3.9219 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6768 -3.3502 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5999 -4.8528 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3643 -5.2252 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 -6.2683 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5654 -4.8550 4.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1363 -3.6676 2.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 -6.6457 3.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2799 -5.2887 3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4017 -6.3539 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 -6.4394 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -4.0709 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 -3.7399 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -3.8942 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0693 -5.5845 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 -5.6443 -2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -6.3418 -1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 -4.1010 -0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 -3.5393 -2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -5.3040 -3.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 -6.0310 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 -3.2678 -3.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 -4.5791 -3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4481 -4.3709 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2778 -3.0078 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7143 -2.0249 -2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8097 -3.4015 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3728 -2.5376 -0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6144 -1.2758 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1112 -1.5151 0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5465 -0.3849 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8983 -0.3718 -2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1851 0.7354 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 1.4407 0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 0.3328 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9944 3.1299 -3.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 4.3528 -2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 3.8034 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 3.8884 -3.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 5.2946 -2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 4.9237 -3.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 5.1514 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8457 3.2149 -2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 2.8525 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 1.0741 -3.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 2.1039 -4.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 2.6102 -4.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5705 1.4041 -3.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 0.7325 -5.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6327 -0.3246 -4.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 0.0102 -4.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -0.7176 -6.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 2.1506 -5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7643 1.7114 -7.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0656 -0.1350 -7.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 0.4349 -5.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4196 2.6695 -7.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4069 1.2908 -8.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 2.0386 -6.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 0.0307 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4105 -0.5548 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -1.6583 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 -0.0940 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 -1.5147 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 -1.4326 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 1.0549 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -0.1104 2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 0.3713 3.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 1.1753 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2974 2.9929 2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 1.9876 3.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 3.9492 4.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 2.4121 5.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8073 2.6055 3.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 4.1155 3.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 4.5078 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 5.0881 5.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5276 3.3096 6.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1157 4.0686 6.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 1.3580 5.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 1.7152 7.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1454 2.7088 5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 2.4398 4.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9054 0.3346 6.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0817 -0.0306 4.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -0.7955 4.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0299 0.7559 5.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 -0.0868 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4451 0.2266 3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3821 2.2190 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4767 2.6911 3.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1557 2.2363 2.0919 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 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 1 0 15 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 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 24 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 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 0 23 97 1 0 24 98 1 1 25 99 1 0 25100 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 37119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 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 56152 1 0 M END