HMDB0047175 RDKit 3D TG(24:0/14:1(9Z)/16:1(9Z)) 169168 0 0 0 0 0 0 0 0999 V2000 3.9689 -0.0158 7.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 -0.5715 8.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -0.6165 7.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5812 -1.5213 6.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 -1.6463 6.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 -1.2493 4.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -0.6568 3.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -1.4804 2.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2753 -0.7180 1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -1.3035 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3117 -2.6312 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -3.4336 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -3.8900 -1.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -2.8856 -2.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1146 -1.6729 -2.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0471 -3.2516 -3.7682 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -2.2497 -4.7178 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8772 -2.5665 -5.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 -3.0569 -5.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3544 -3.3383 -6.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -3.0905 -7.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6948 -3.8679 -6.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 -4.6571 -5.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -3.8502 -3.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -2.7341 -3.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -1.9906 -2.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 -0.8957 -2.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 0.2119 -3.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 0.9306 -3.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 2.1988 -2.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 3.1016 -2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3155 4.2551 -3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 5.1686 -3.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 6.3009 -4.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6154 7.2323 -4.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4742 8.3661 -5.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1776 -1.9780 -5.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -1.5090 -4.4894 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 -1.2038 -4.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8805 -1.3890 -5.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 -0.6764 -3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -0.0680 -2.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4781 1.0553 -3.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5363 1.6198 -2.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 2.7600 -2.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 3.3140 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 3.8483 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 4.3684 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 4.8873 1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 5.4241 2.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 4.3001 3.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 4.7449 4.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 3.5897 4.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 3.1559 3.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 1.9857 3.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 1.5915 2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4348 0.4262 2.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 -0.7682 2.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4629 -2.0125 2.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5827 -3.1803 3.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 -3.4767 2.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 -4.6500 2.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -4.9659 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 0.9063 6.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 0.2370 7.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2327 -0.7798 6.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 -1.5799 8.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 0.0971 9.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.1590 8.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2282 0.3809 7.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 -2.5260 7.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 -1.2430 5.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -2.0886 6.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -1.4038 4.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 0.3067 3.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9373 -0.2901 4.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -1.5206 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4921 -2.5183 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 -0.5044 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 0.2982 1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4999 -0.5769 0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 -1.3208 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 -3.2860 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -2.4735 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -4.3584 0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 -2.9129 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -4.6504 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3367 -4.5367 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 -1.2803 -4.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 -1.6282 -6.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 -3.2390 -6.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8624 -4.5731 -7.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 -3.1055 -6.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 -5.5112 -5.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 -5.1325 -5.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0983 -4.5178 -2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -3.4392 -3.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 -3.1425 -3.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 -2.0497 -4.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -1.6429 -2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 -2.7599 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8471 -1.3002 -2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7064 -0.4383 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5477 0.8726 -3.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 -0.1843 -4.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 0.3636 -3.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 2.6234 -2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 2.6288 -2.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 3.5722 -1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 3.8649 -4.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 4.8199 -3.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5231 5.5661 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4338 4.5665 -3.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 6.8968 -4.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 5.8951 -5.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5553 6.6745 -4.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6934 7.5904 -3.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4637 8.6549 -5.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7518 8.0556 -6.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0029 9.2252 -4.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 -1.2214 -6.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -2.9106 -5.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9221 0.0560 -3.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 -1.4697 -2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9444 0.3790 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -0.8245 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1545 1.9138 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 0.7669 -3.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8576 0.8730 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1351 2.0198 -1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 2.3007 -3.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 3.5341 -3.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 4.1268 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 2.5075 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0494 4.6982 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 3.0708 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 3.4801 0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6732 5.0964 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 4.0567 2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 5.6738 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 5.7196 3.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3211 6.2937 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3219 4.0964 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3944 3.4077 3.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 5.0494 5.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 5.5630 3.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8757 3.8727 5.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 2.7134 4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3885 3.9880 2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 2.7463 2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 2.3211 4.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 1.1751 3.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 2.4821 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7269 1.3380 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 0.1955 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2257 0.6060 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1895 -0.5230 3.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 -0.9024 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2828 -1.8419 3.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 -2.3023 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 -2.9084 4.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2215 -4.0479 3.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0117 -3.7068 1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -2.5922 2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 -5.4947 2.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 -4.3256 3.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -4.7794 2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 -6.0179 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -4.3301 0.8957 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 2 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 17 37 1 0 37 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 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 1 18 90 1 0 18 91 1 0 22 92 1 0 22 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END