HMDB0046221 RDKit 3D TG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) 187186 0 0 0 0 0 0 0 0999 V2000 4.5350 -2.4819 -3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -1.5281 -2.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -0.5834 -1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 0.7227 -1.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 1.3640 -3.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 2.0176 -3.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 3.2998 -3.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 4.2826 -3.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 5.1378 -4.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8122 5.1974 -6.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7517 4.2940 -6.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0436 3.8092 -7.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 2.5885 -8.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 1.4650 -7.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.6507 -6.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 0.7219 -6.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 1.7000 -7.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 2.6537 -6.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 2.9183 -5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 2.2245 -4.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.5514 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6688 2.5916 -3.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 3.1633 -3.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 2.8919 -1.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 3.6757 -0.7390 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9207 4.6613 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 5.1413 1.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 6.0291 1.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 6.4798 1.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 6.3195 3.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 6.9411 4.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 6.3719 4.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 4.9479 5.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 3.9740 4.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 2.4720 4.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5979 1.8531 3.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 0.3812 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -0.1090 1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 -1.5661 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3134 -1.8605 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -3.2283 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0184 -3.5433 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -2.5561 -1.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -2.7617 -3.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -3.0303 -4.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0944 -3.1605 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9936 -2.1100 -4.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3827 -2.3035 -3.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3257 -1.3102 -4.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7322 -1.4732 -3.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 2.9222 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5354 2.0339 0.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 2.2238 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1431 3.3675 -0.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7707 1.1012 -0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4227 0.1178 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2739 -1.1082 0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9623 -2.0656 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5509 -2.5445 1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2767 -3.5212 3.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -3.0101 4.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8512 -1.7693 4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3735 -1.8301 4.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -2.8279 5.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 -2.7234 5.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 -3.6683 6.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 -3.6056 6.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 -4.0662 5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 -3.8568 4.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6239 -4.5609 6.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 -4.4241 6.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9666 -4.9272 5.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8082 -4.2930 3.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7768 -2.8814 -1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -1.9630 -3.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 -3.3123 -3.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -2.2024 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -1.1733 -3.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 -1.0098 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 1.3708 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 2.0657 -3.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 0.6401 -4.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 1.3929 -3.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0149 3.6524 -4.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 3.8916 -3.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 5.0217 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 5.9391 -4.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3224 6.0161 -6.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2334 3.5349 -6.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6201 4.9306 -7.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 4.6362 -8.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 2.4623 -9.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 0.7234 -7.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7506 1.7198 -6.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -0.2200 -6.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 -0.1063 -6.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 2.1553 -8.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 1.0284 -8.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 3.3086 -7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 3.7434 -5.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 3.0244 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 1.5113 -4.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 0.9428 -2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 0.8845 -4.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8367 4.3443 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 4.0815 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8237 5.5313 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2645 7.1019 2.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0799 5.4887 3.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 6.9842 5.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 8.0488 4.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 7.0187 5.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4374 6.5906 4.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 4.8194 5.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 4.7107 6.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 4.1109 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 4.0328 3.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 2.2701 4.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 2.1549 5.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 2.3775 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 2.0664 2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -0.1065 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.1112 3.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 0.0330 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 0.5454 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9207 -2.1681 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -1.7846 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -1.0387 -0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 -1.7792 -0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -4.0144 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 -4.5926 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 -2.7466 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5665 -1.4856 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 -2.6720 -3.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 -3.1834 -5.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3338 -3.0975 -2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 -4.1321 -4.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -2.3199 -5.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5486 -1.1376 -4.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7489 -3.3095 -4.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3612 -2.2366 -2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3988 -1.5317 -5.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9975 -0.2653 -4.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7285 -1.6774 -2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3204 -2.2473 -4.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2926 -0.4994 -3.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 2.2680 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7038 3.5976 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8133 1.4994 -0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7623 0.6651 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 -0.1996 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5024 0.5998 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3487 -0.8025 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2282 -1.6736 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2715 -1.6490 2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6253 -2.9582 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 -3.0882 0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8114 -1.7163 2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9457 -4.4088 2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2489 -3.9326 2.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6711 -2.7619 4.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4485 -3.7905 5.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1774 -1.5393 5.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 -0.8753 4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -1.9176 3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -0.8213 5.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -3.8561 5.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -2.5706 6.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0774 -1.6852 5.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 -2.9532 4.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -3.3412 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.7062 6.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -4.3013 7.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2666 -2.5873 6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 -3.5686 4.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -5.1562 4.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 -4.2287 3.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 -2.7852 5.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2126 -4.1483 7.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -5.6391 6.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 -4.8936 7.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3102 -3.3157 6.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 -4.7607 5.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9262 -6.0549 5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 -4.1878 3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -3.3028 3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -4.9772 3.0974 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 2 0 28 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 2 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 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 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 6 26106 1 0 26107 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 42131 1 0 43132 1 0 43133 1 0 44134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 50146 1 0 51147 1 0 51148 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 72183 1 0 72184 1 0 73185 1 0 73186 1 0 73187 1 0 M END