HMDB0046180 RDKit 3D TG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:0) 193192 0 0 0 0 0 0 0 0999 V2000 -0.9647 1.2756 2.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 2.4888 3.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 3.7538 2.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 4.7190 2.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 4.6940 3.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 5.8337 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 5.7038 5.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 4.5035 6.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 4.0130 7.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 4.4143 7.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 5.4891 7.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 5.3708 6.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 4.3518 6.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 2.9794 7.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 2.3307 8.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0109 1.1719 7.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 0.3668 6.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -1.0425 7.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 -1.1682 7.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -0.6415 7.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -1.2129 6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -0.6233 5.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 0.1849 6.6764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -0.8331 4.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 -0.1962 4.6529 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2139 -1.1958 4.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4274 -2.2884 4.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 -2.4224 2.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3784 -1.3720 2.3815 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1284 -3.6929 2.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 -3.3561 0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 -2.5620 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3839 -3.3236 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 -4.4836 -1.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6753 -5.4185 -1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4919 -4.9627 -2.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 -4.1843 -1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1291 -5.0923 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -4.2793 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 -4.7923 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 -5.4498 2.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -6.8024 2.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1043 -7.2848 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 -8.7261 2.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 -9.1809 1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 -8.3538 2.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 -8.9267 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -8.9204 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 0.8022 3.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 0.5210 2.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 1.5895 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 2.7359 1.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 1.5674 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 2.4827 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 2.1085 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2683 3.1112 -1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 2.7129 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 1.4230 -1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 1.6520 -3.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 0.4998 -4.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 0.8816 -5.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 1.1090 -5.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 1.7170 -7.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 3.1732 -7.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 3.6542 -7.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 5.1872 -7.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 5.7978 -7.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 5.3381 -7.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4781 5.6349 -9.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 5.2453 -10.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 3.7833 -10.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0798 3.4654 -11.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 1.9938 -11.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 0.9389 2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 1.5310 2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 0.4454 3.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 2.4453 4.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4591 2.3943 4.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0949 3.8575 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 5.6221 2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 5.0116 2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5865 3.7656 3.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 6.8588 3.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 6.6719 6.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 4.5579 6.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 3.6637 5.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 3.0880 7.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 3.8341 8.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 6.1523 6.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0498 6.2855 8.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 6.3681 6.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1158 4.4787 6.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5685 2.7523 7.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9702 2.4314 6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 2.8450 9.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 0.7690 8.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9118 0.1981 6.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 0.7462 5.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 -1.6004 6.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2016 -1.5417 7.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9908 -2.2926 7.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 -0.7968 8.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 0.4834 7.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 -0.8953 8.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 -0.9323 5.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -2.3123 6.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 0.4369 5.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1897 -0.6724 5.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 -1.6230 6.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2453 -4.3297 2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.2326 2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -4.2165 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5275 -2.6816 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 -2.3159 -0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -1.6226 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 -3.5669 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.5436 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5005 -5.0996 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2651 -4.0976 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 -6.1527 -2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3504 -6.1041 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 -4.3683 -3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 -5.8360 -2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 -3.2023 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 -4.0654 -2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 -5.9926 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7545 -5.3635 0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7931 -3.8184 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -3.3178 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -3.8997 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 -5.4524 0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -5.3421 3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8738 -4.7677 2.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1309 -7.0443 3.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0018 -7.5264 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -6.6759 2.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 -7.3718 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -8.7570 3.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -9.3918 2.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -10.2509 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -9.0792 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -7.3531 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -8.2674 3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 -9.9706 1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 -8.3353 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -8.2410 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 -9.9337 -0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -8.5821 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 1.2411 3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 1.6545 3.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3518 0.5270 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.7458 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 2.4041 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 3.5586 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 2.1628 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 1.0817 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 3.2401 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3975 4.1225 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 3.5302 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4803 2.5865 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8439 0.6231 -1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 1.1391 -1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 2.6076 -3.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1528 1.8367 -3.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 -0.3924 -3.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7283 0.2853 -3.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1859 1.5934 -5.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -0.1379 -6.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 1.7603 -5.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 0.1139 -5.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 1.1709 -8.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 1.5609 -7.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 3.6913 -6.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4105 3.5404 -8.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0173 3.1270 -7.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 3.5938 -6.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 5.5869 -6.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 5.3803 -8.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 6.9085 -7.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9356 5.7172 -6.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 4.2427 -7.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7158 5.8336 -7.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 5.2061 -9.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 6.7445 -9.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5306 5.7968 -10.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3666 5.5910 -11.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2075 3.4722 -9.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 3.1970 -10.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9845 4.0659 -11.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7608 3.7170 -12.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 1.3802 -11.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4207 1.7982 -11.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5105 1.6923 -10.1034 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 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 1 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 48148 1 0 49149 1 0 49150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 73193 1 0 M END