HMDB0045801 RDKit 3D TG(20:0/20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -4.2865 -2.4255 7.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -3.5747 6.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7729 -3.5471 6.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0793 -2.2978 5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 -2.1008 4.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3761 -0.8790 3.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5329 0.1087 3.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1824 0.0808 3.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 0.2568 2.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -0.6236 2.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1169 -1.9454 3.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.9957 3.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.9332 3.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -4.0137 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 -4.1207 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -4.4701 1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 -4.6996 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2959 -3.5490 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 -2.4136 -0.2752 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -3.7130 -1.5355 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6302 -2.8220 -2.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -2.0906 -3.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5393 -2.9345 -3.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8449 -3.7754 -2.9217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 -4.5972 -3.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 -4.5025 -4.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -5.5202 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -4.7046 -2.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 -5.5928 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 -5.0466 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -4.1938 -1.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 -2.8354 -1.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -1.9838 -2.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0358 -1.6847 -2.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7741 -0.7563 -3.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 0.5634 -3.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9654 1.2133 -2.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 2.5202 -2.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2517 3.1031 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 4.3745 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 4.9912 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 4.1079 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2488 4.7907 3.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7060 5.1961 3.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6009 3.9862 3.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 -1.2520 -4.1942 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 0.1186 -4.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 0.6237 -3.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8259 0.9506 -5.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9264 1.8559 -4.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5732 2.8848 -3.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 3.7666 -3.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 3.8853 -2.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0415 3.2196 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0286 2.2012 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0128 2.3252 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7089 3.4751 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 3.0702 2.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 3.1611 3.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 3.6716 2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 4.9297 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 5.4021 3.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 5.7492 1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3842 6.8485 1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 7.1078 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9204 8.1909 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 7.8330 -0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 -1.7147 7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 -2.7596 8.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2859 -1.9336 7.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 -4.5083 7.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 -3.6122 5.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -3.7075 6.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8327 -4.3932 5.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1985 -1.3908 5.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0727 -2.4712 4.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3386 -2.9569 3.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0649 -2.2967 4.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3695 -0.7497 2.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7794 1.0380 2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 1.0638 4.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -0.7443 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 1.1948 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 -0.3558 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 -2.7284 2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 -2.0871 3.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 -1.1886 4.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -2.8891 3.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -4.2171 2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -4.9777 2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 -4.9442 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 -3.2031 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -3.5951 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -5.3190 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -5.5865 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 -5.0676 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 -3.3723 -3.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2523 -2.0672 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1137 -1.3806 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -2.2612 -4.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -3.5412 -4.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -5.9214 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 -6.3185 -3.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -4.3396 -3.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 -3.9179 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 -6.5122 -2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 -6.0853 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 -4.5044 0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0181 -5.9406 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 -4.7147 -2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 -4.0098 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -2.2336 -0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 -2.7737 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 -2.3785 -3.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 -0.9848 -2.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6642 -2.6348 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0209 -1.3325 -1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8039 -0.5745 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7396 -1.2388 -4.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6204 1.1947 -4.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 0.3886 -3.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6093 0.5743 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 1.4978 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 3.1928 -2.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 2.2475 -2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0108 2.3527 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3282 3.4214 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 4.1011 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 5.0926 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6048 5.3484 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8907 5.8962 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 3.1558 1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9885 3.9467 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 5.6311 3.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 4.0253 4.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7547 5.5793 4.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0041 6.0085 2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 4.2824 3.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5509 3.5562 2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2589 3.2522 4.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1158 0.3171 -6.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0169 1.6154 -5.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3236 2.3365 -5.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7294 1.2088 -4.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8383 3.5803 -4.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9282 2.5551 -2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 4.4079 -4.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1473 4.6438 -2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8849 3.9969 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0696 2.7924 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 1.2739 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 1.4879 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 4.3692 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6699 3.7972 0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 2.6736 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 2.8239 4.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 2.8963 3.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1856 3.7617 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 4.6363 4.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 5.6895 3.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3838 6.3140 3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 4.6373 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6002 4.8804 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 6.1071 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 7.7612 1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 6.5594 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 6.1719 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 7.3649 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 8.2843 -1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7152 9.1661 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5945 6.8653 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 8.6480 -0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 7.8124 -1.8523 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 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 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 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 2 0 47 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 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 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 1 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 67173 1 0 M END