HMDB0049487 RDKit 3D TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -0.7812 6.5299 2.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3785 5.5187 1.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 5.9593 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9838 5.1794 1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0566 3.8054 1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9281 3.7891 3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 3.1461 3.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 2.3365 2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 0.9375 2.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 0.1407 3.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 0.4951 4.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 0.4517 5.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 -0.3851 6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 -1.3702 6.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 -1.1488 7.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -2.3608 7.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 -2.1818 8.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 -0.9693 8.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -1.1865 6.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7101 -0.0373 6.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1801 0.8467 6.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8853 0.0329 4.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5205 0.9528 4.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 0.5676 2.5815 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1766 1.7346 1.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 1.4534 0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 2.2693 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 3.3831 -0.4991 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 1.8324 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 2.9560 -2.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 2.5820 -3.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 3.7584 -4.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 3.5228 -5.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 3.2583 -4.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 3.0250 -5.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 1.8433 -6.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7975 1.7475 -6.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0022 1.5820 -6.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8731 0.6020 -6.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -0.5522 -7.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6766 -1.8701 -6.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4502 -1.8509 -5.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -3.1823 -4.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 -3.2871 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -2.2084 -2.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -0.6075 2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 -1.7826 1.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9149 -1.7800 1.9536 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -3.0008 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1955 -3.2533 1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 -4.5109 1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1041 -4.8548 1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1828 -4.8787 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2516 -4.5598 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7481 -5.6773 -1.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8103 -5.6858 -1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6781 -4.4786 -2.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6981 -4.0980 -3.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3080 -2.9593 -4.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7807 -1.8820 -3.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6818 -0.7141 -3.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2485 0.4354 -3.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 0.7547 -4.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4132 1.9085 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5461 1.3936 -1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1338 2.4437 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2888 1.8539 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 6.3111 3.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 6.4248 3.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 7.5565 2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 4.5525 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 5.6829 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 6.9792 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9277 5.6035 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 3.4354 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 3.0813 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 4.4001 3.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5699 3.2779 4.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7165 2.8325 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 2.4991 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5434 0.4709 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 -0.9151 3.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2235 -0.3524 4.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.3721 4.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6357 1.1435 5.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2012 -0.2995 7.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -1.7469 5.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -2.3270 7.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -1.1895 8.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 -0.1934 7.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 -2.6071 6.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 -3.2527 8.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -3.0455 8.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6272 -1.9270 9.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 -0.8863 8.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0428 8.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5551 -2.1349 6.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 -1.3247 6.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5933 1.1127 4.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 1.9354 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1225 0.2748 2.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1398 1.9426 1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 2.6284 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 0.9409 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.5463 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 3.8284 -1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 3.2566 -2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 1.6979 -3.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 2.2205 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 4.0107 -4.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 4.6159 -3.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 2.6881 -5.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 4.4661 -5.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 4.1813 -3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3434 2.4437 -3.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 2.9111 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 3.9161 -5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 1.9036 -6.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4464 0.8780 -5.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9033 2.7332 -7.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7119 0.9766 -7.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 2.3840 -5.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7295 0.6597 -5.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9062 -0.4798 -7.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6791 -0.6059 -7.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 -2.0281 -5.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6457 -2.6774 -7.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 -0.9995 -4.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5364 -1.7299 -5.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3361 -3.3106 -4.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3817 -3.9584 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 -4.2966 -3.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2825 -3.1980 -4.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1825 -2.2052 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4261 -2.3824 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0995 -1.2199 -3.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -3.0201 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.8689 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0413 -3.5092 2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8506 -2.3915 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6812 -4.3869 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0835 -5.3737 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 -5.1078 2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1205 -5.1417 1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8603 -3.6414 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2606 -4.2807 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1707 -6.6196 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1082 -6.5942 -2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7598 -4.8398 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4997 -3.7322 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0739 -4.8394 -4.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3503 -2.7350 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7474 -1.7001 -3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6976 -2.1450 -2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7544 -0.8237 -3.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0160 1.2340 -3.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8004 1.1543 -5.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1618 -0.0565 -4.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3718 2.2035 -3.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0886 2.7826 -3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9214 0.5098 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6408 1.1845 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0703 2.7278 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7958 3.3149 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4604 1.1300 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2482 1.2880 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 2.6516 1.4054 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 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 37 38 1 0 38 39 2 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 24 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 2 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 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 29105 1 0 30106 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 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END