HMDB0052483 RDKit 3D TG(18:2(9Z,12Z)/22:0/22:5(7Z,10Z,13Z,16Z,19Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -3.2806 -5.6663 -8.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5659 -5.3829 -6.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0087 -5.5210 -6.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7611 -4.5517 -6.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 -3.2122 -6.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4777 -2.8751 -4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2142 -1.8713 -4.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9143 -0.9446 -5.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6840 0.4847 -5.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 1.2307 -4.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7952 0.7246 -3.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0207 1.1690 -2.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1949 1.8960 -1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9188 2.3691 -2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 3.8763 -1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 4.3906 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 3.5613 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 3.3804 0.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 2.3743 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 1.9041 2.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6191 1.3032 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1676 0.2878 1.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4133 0.0576 2.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 -0.4474 1.0537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -1.3684 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 -2.1523 -0.6732 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5893 -3.1031 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -3.9765 0.8813 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -4.9192 1.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 -5.0320 2.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -5.7931 2.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 -5.8525 3.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -4.4745 4.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 -4.7312 5.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -3.6508 6.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 -2.9901 6.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4515 -2.1611 5.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5707 -1.0181 5.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 0.2147 5.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3189 0.6953 5.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1982 1.5369 7.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 2.7825 7.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1119 3.4901 6.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 4.6777 5.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6579 5.4850 4.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 6.6403 4.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 7.4951 3.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 -1.3153 -1.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -1.3347 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -2.1260 -3.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5172 -0.4027 -3.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 0.8990 -3.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 2.0225 -4.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 1.7746 -5.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8094 2.8886 -6.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 3.0721 -5.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.1935 -4.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 3.4822 -4.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 3.5451 -2.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 2.3602 -1.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 1.4687 -1.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3470 0.4009 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1435 -0.5144 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -1.6281 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6211 -1.1199 1.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -2.3009 2.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1041 -3.0564 2.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3942 -4.2031 3.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6571 -3.7485 4.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8396 -2.7907 4.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0096 -2.4224 6.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 -5.5947 -9.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -6.6648 -8.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 -4.9127 -8.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 -6.2252 -6.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 -4.4576 -6.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5003 -6.4956 -7.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8571 -4.6858 -6.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 -2.5104 -6.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1632 -3.0676 -6.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 -3.5391 -3.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3165 -1.7847 -3.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0149 -1.3293 -6.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0756 -1.0717 -4.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3917 1.0810 -5.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 2.3500 -4.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7541 1.0253 -3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7099 -0.3662 -3.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9815 0.8342 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 2.1836 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 2.2717 -3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 1.9436 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 4.4550 -2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8973 5.4513 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 4.2293 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 2.6580 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6142 2.9633 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 4.3257 1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 2.9666 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 1.5581 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0415 2.7381 2.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 1.1233 2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 0.8204 3.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2869 2.1412 3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 -0.8069 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 -2.0903 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8339 -2.8017 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -2.5323 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -3.7420 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -5.5870 2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -6.8446 2.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -6.2431 4.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8714 -6.5138 4.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 -4.1472 4.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 -3.8008 4.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 -5.1832 6.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -5.6299 6.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -4.0289 7.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -2.8095 6.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 -2.3799 7.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 -3.7988 7.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5985 -2.7420 4.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4876 -1.8142 6.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -1.2823 5.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 0.9828 5.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8328 1.1685 5.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0012 -0.1311 6.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 1.0491 8.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 3.3653 8.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2357 3.0184 5.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0562 4.0109 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0485 5.3237 6.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 4.2953 5.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 4.8984 3.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 5.9419 4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 7.3169 5.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 6.2753 4.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 6.9046 2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 7.9603 3.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 8.2730 3.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 -0.2520 -2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 -0.8190 -4.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 1.1946 -2.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 0.7704 -4.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 2.8549 -4.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2025 2.4866 -3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.6530 -6.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 0.7908 -5.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2003 3.8514 -6.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 2.7583 -7.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 3.9478 -6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8181 2.2006 -6.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8524 4.0625 -3.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 2.2595 -3.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1249 4.4741 -4.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 2.7037 -4.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 4.0400 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 4.3170 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 1.6991 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 2.6980 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9159 0.8360 -2.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 1.9078 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 0.8773 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2212 -0.1590 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0553 -1.0331 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 0.0238 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2584 -2.2188 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 -2.2535 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 -0.3709 2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.6255 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 -2.9803 2.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 -1.9437 3.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9926 -2.3740 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8928 -3.5301 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -4.7838 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -4.8642 3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9637 -4.6450 5.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 -3.3021 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5778 -1.8619 4.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7556 -3.2543 4.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 -3.3198 6.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -2.1003 6.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7416 -1.6247 6.4262 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 29 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 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 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 70179 1 0 70180 1 0 71181 1 0 71182 1 0 71183 1 0 M END