HMDB0052171 RDKit 3D TG(24:1(15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 185184 0 0 0 0 0 0 0 0999 V2000 -1.8451 5.7391 5.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 4.8973 5.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 5.1090 6.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 4.2087 7.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 2.7814 7.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8287 1.9330 7.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 1.1476 6.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 0.9862 5.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 1.3665 4.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 0.5703 3.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -0.8159 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -1.6870 3.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0279 -2.7348 3.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 -3.3481 4.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 -3.4644 6.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6977 -3.0218 7.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4586 -2.2588 7.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -3.0465 8.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -3.4558 8.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 -3.2321 7.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 -2.4473 7.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 -2.1763 6.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -1.0306 5.8947 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 -3.0685 5.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1956 -2.8676 4.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6129 -2.5226 3.5126 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6422 -1.8100 2.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 -1.0181 1.6794 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6087 -0.2135 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 -0.2099 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8875 0.6417 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 0.4792 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.4339 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 1.3337 -1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 2.3394 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 2.1909 -1.9967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 3.1772 -2.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 2.9150 -2.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.5486 -3.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9251 1.3578 -3.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 2.3741 -4.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 2.4076 -5.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 3.4322 -6.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 3.4810 -7.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 4.5345 -8.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0102 5.8537 -7.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5866 6.4011 -7.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6491 5.5540 -6.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2548 6.1004 -6.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 7.4760 -6.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 7.9465 -6.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4051 9.3318 -5.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8381 9.8137 -5.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -3.4541 2.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5626 -3.5539 2.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 -2.5745 2.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -4.8575 1.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7057 -5.1432 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -6.5390 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7887 -7.0014 -1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -6.3891 -2.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 -6.6276 -2.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 -6.0284 -4.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5883 -6.5318 -5.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -5.6838 -5.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -4.2531 -5.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 -3.4511 -5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -2.5537 -4.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -2.3264 -3.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1628 -2.5938 -2.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3351 -2.2850 -2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 -2.4732 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 -2.1508 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 5.3350 5.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6838 6.7864 5.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 5.8186 4.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7231 3.8665 5.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 5.3308 4.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 6.1459 7.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 4.4846 8.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 2.5857 6.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 2.5055 8.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3842 1.9458 8.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 0.5699 7.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 1.5249 5.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 -0.1010 5.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 2.3934 4.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 0.9843 2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 -0.8249 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 -1.2116 3.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -1.3873 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0036 -3.3012 3.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -2.8442 5.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 -4.4011 4.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9195 -4.0359 6.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 -3.1941 8.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 -1.3362 8.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 -1.9122 6.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 -3.2366 9.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0298 -4.0317 9.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -2.8510 6.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7144 -4.2449 6.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 -1.5307 8.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 -3.1598 8.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8911 -2.0408 5.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8449 -3.7947 4.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8918 -1.6348 3.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2437 -2.6316 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2994 -1.2288 3.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1174 1.6974 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1736 0.4813 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 0.8377 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 -0.5506 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 2.4534 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 1.2168 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8581 0.3122 -1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 1.6408 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 2.1566 -2.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 3.3726 -1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 2.2235 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 1.1725 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4547 4.2346 -2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 3.0027 -3.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6143 3.6807 -3.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 2.9406 -1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 0.7432 -2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 1.3489 -4.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2758 1.4488 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2142 0.3363 -3.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7465 2.0679 -4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 3.3690 -3.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 2.6505 -5.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3808 1.3877 -6.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1023 3.0247 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 4.3498 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6242 2.5068 -8.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 4.3920 -9.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 5.8793 -6.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5528 6.6382 -8.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 6.4812 -8.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 7.4278 -7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 5.3378 -5.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 4.5566 -7.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 5.4087 -6.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8681 6.1476 -7.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 8.1812 -6.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 7.6049 -5.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 7.2766 -5.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 7.9728 -7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 9.4157 -4.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 10.0866 -6.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 9.0303 -5.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 10.6872 -5.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 10.1116 -6.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -4.9081 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 -5.6502 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 -4.3749 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 -5.2480 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 -7.2188 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 -6.6703 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -8.1140 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -6.9745 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -6.9237 -3.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -5.3631 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -7.7190 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -6.1717 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -6.5216 -4.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4001 -4.9818 -4.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -7.6147 -5.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 -6.0969 -6.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0151 -3.9305 -5.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1585 -3.9396 -6.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1237 -3.5683 -5.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 -2.0005 -3.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 -1.1547 -3.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -2.6038 -4.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.8827 -1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -3.6414 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -2.8778 -2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 -1.2320 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7027 -3.4447 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -1.6389 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -2.6009 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4576 -1.0498 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -2.5234 -1.8368 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 2 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 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 26 54 1 0 54 55 1 0 55 56 2 0 55 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 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 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 1 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 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 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 50147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 53154 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 64169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 72181 1 0 72182 1 0 73183 1 0 73184 1 0 73185 1 0 M END