HMDB0049839 RDKit 3D TG(18:1(9Z)/24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 189188 0 0 0 0 0 0 0 0999 V2000 2.1426 -6.6842 4.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 -6.9280 3.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -8.2590 2.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 -8.4747 1.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -7.4023 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 -7.7704 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 -8.0154 -1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 -8.0123 -2.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -7.7995 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 -6.7550 -1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0229 -5.6452 -2.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -5.5824 -3.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -4.5307 -3.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6999 -3.3810 -2.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 -3.2726 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5572 -2.1977 -1.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2826 -0.8756 -2.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 0.0158 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 1.0420 -0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8753 1.4790 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 2.9221 -1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 3.2850 -2.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 2.5514 -3.7102 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8668 4.4361 -2.5139 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 4.9635 -3.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 6.1680 -2.4210 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6198 7.2316 -3.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 7.1414 -3.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 7.1278 -2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3884 7.1928 -1.3328 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 7.0529 -2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 5.8110 -2.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 5.5259 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4454 4.2559 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 3.7917 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 2.5537 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0354 1.9021 2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 2.8122 3.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 3.1601 4.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 2.7105 4.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 1.9682 5.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 2.7288 7.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 3.9694 7.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 3.6699 7.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 2.7685 8.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 2.6040 8.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 1.7240 9.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 5.7285 -1.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 5.8181 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 6.3855 0.2143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4687 5.1934 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 3.7733 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 2.9707 2.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 1.5702 2.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 0.6138 3.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -0.7031 3.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5199 -1.8273 3.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 -2.4960 3.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -3.1936 2.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -2.4888 1.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 -1.6346 1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 -0.9216 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.1008 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1331 -0.1883 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -1.2351 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 -0.8364 -3.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 -1.9524 -4.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -1.7081 -5.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 -2.8582 -6.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 -2.6258 -7.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7202 -2.4594 -7.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 -2.2296 -8.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9335 -2.0640 -8.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 -6.9972 4.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 -7.2870 5.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 -5.5940 4.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -6.0730 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 -6.9144 3.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 -9.1090 3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8755 -9.4840 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -6.3958 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7443 -7.3954 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 -7.8353 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -8.2798 -2.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 -9.1292 -2.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 -7.4943 -3.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -8.5463 -0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0755 -6.6672 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -5.8604 -3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -4.7201 -2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4612 -6.4165 -4.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 -4.4805 -4.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 -2.4945 -3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8231 -3.4374 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -4.1678 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4073 -2.1966 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 -0.6361 -2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3989 -0.9036 -2.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 -0.2811 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 1.6768 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1548 0.8787 -2.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7654 1.4131 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 3.5606 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6513 3.2935 -2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9742 4.2509 -3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 5.3108 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2811 6.6348 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 8.2394 -2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 7.2949 -4.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 7.2380 -3.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6563 7.9116 -2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 5.8886 -2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 4.9145 -2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 5.3020 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 6.3161 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 4.3161 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 3.4586 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 4.6115 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 3.5188 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 1.8321 0.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1937 2.7658 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 1.4581 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 1.0869 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4556 3.2295 3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 3.8545 5.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 3.6047 4.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 2.0430 3.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 1.0927 5.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 1.5615 5.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 2.0747 8.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 3.0737 7.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5911 4.4133 8.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5967 4.7329 6.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 4.6335 7.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 3.2373 6.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 3.1300 9.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 1.7499 8.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 2.1787 7.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5429 3.6114 8.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6372 1.2663 8.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 0.8601 9.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 2.2659 10.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 5.8053 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 5.2397 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8255 3.2641 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 3.7719 1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 3.4289 3.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 2.8608 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 1.6577 2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7187 1.1957 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 1.0239 4.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0756 0.5344 3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -0.8674 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -0.4257 3.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -2.6292 3.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7551 -1.6186 5.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -1.7817 4.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 -3.2320 4.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0595 -3.8757 2.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -3.9169 2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3303 -2.0792 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8777 -3.3207 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 -0.8685 2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 -2.3490 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7141 -1.6492 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2007 -0.3913 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 0.7025 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 0.9164 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1219 0.7823 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7444 -0.2902 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9334 -1.1791 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2723 -2.2569 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 -0.6913 -2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 0.1041 -3.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 -2.1214 -4.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 -2.8818 -3.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -1.5348 -5.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 -0.8080 -5.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4309 -3.0771 -6.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -3.7706 -5.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -3.4929 -8.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -1.7015 -8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1438 -3.4092 -6.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 -1.6174 -6.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 -3.1058 -9.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 -1.2914 -9.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 -1.4112 -7.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3614 -3.0612 -8.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -1.6890 -9.3482 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 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 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 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 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 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 64170 1 0 65171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 70181 1 0 70182 1 0 71183 1 0 71184 1 0 72185 1 0 72186 1 0 73187 1 0 73188 1 0 73189 1 0 M END