HMDB0047693 RDKit 3D TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 193192 0 0 0 0 0 0 0 0999 V2000 2.3841 9.2671 5.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 9.0222 4.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 7.5878 4.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4223 7.0853 3.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 7.7619 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 7.6826 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 7.0629 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 6.3922 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 6.8866 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 6.1472 -2.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 4.8106 -2.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 3.9560 -2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 2.8324 -1.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1089 2.1985 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 0.9184 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 -0.2918 -1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 -0.5596 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 -1.3939 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -2.5323 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 -2.8256 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -2.7901 1.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -3.0898 1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5622 -4.2420 1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1865 -2.1596 0.8156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 -2.4791 0.4732 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5208 -2.5741 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.4998 -1.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 -0.9516 -2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8503 -1.5326 -1.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 0.1542 -3.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 1.0485 -3.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 1.7290 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 1.7373 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 1.0634 -2.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8827 2.2001 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5084 2.4179 -3.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4735 1.6927 -4.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9928 2.5200 -5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9946 2.2222 -6.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 0.9676 -6.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3206 0.1789 -7.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 -0.1446 -8.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 0.1931 -7.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 0.9888 -8.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8794 0.6319 -9.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5963 -0.6153 -9.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -0.2699 -8.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 0.5064 -9.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 0.8421 -9.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 1.6883 -7.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 -1.7603 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 -2.2029 0.7753 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 -3.5309 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1461 -4.3766 1.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1655 -3.9261 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3684 -5.3267 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5266 -6.4457 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5615 -6.8336 1.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0567 -8.1699 2.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3037 -8.7607 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 -8.1793 4.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -6.9092 5.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 -6.7636 4.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 -5.4394 5.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2092 -5.1787 5.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -3.9094 6.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 -2.6745 5.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 -1.4800 6.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -0.2008 5.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2975 0.2763 4.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 0.5450 4.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 1.0152 3.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 1.3464 3.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6495 2.5443 3.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 2.6834 5.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3026 3.9453 5.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7685 5.1820 5.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 8.7385 6.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 10.3217 5.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 8.8720 5.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 9.3549 5.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 9.6884 3.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7126 6.9444 5.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 5.9854 3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 8.8814 2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 7.4096 1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0881 8.1649 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 7.0740 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3842 5.3269 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 6.3063 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 7.9327 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 6.7005 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5561 4.2534 -3.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 4.8940 -4.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4751 4.2370 -2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 2.2440 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9309 2.8301 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2293 2.1205 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 1.0388 -3.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -1.1463 -2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 0.4671 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 -0.8073 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1763 -1.1306 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3995 -3.1674 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 -2.5064 -0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2362 -4.0152 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -3.5669 2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 -1.8297 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2315 -3.5711 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 -2.9424 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9483 -3.4297 -1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.2146 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 0.7796 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9077 1.7775 -4.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 0.4261 -3.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 2.3061 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 2.3040 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8051 0.5008 -2.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 0.4512 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 2.8214 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1959 3.2937 -3.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5974 1.5422 -4.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1084 0.6786 -4.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5257 3.4772 -5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6749 2.9039 -7.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1689 1.2035 -6.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 0.3692 -5.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3306 -0.1100 -7.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 -0.7292 -9.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3366 -0.8082 -7.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 0.7084 -6.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.9388 -9.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 1.2936 -10.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -1.1187 -10.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -1.2961 -8.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 0.3458 -7.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 -1.2189 -8.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 -0.0194 -10.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 1.4805 -9.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -0.1522 -8.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7997 1.3549 -9.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 1.1318 -7.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 2.5180 -8.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 2.1586 -7.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1174 -1.9905 2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 -0.6632 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9859 -3.6154 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 -3.2554 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -5.5730 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2952 -5.3645 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 -6.4664 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6185 -7.3870 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 -7.0125 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -6.1118 2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0491 -8.8963 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -8.1000 2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7419 -9.8307 3.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -8.9376 3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3019 -8.1131 5.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -8.9596 5.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6785 -6.8408 6.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -5.9802 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -7.5621 5.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 -6.7488 3.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 -4.6163 4.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 -5.3940 6.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -6.0519 5.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 -5.0789 4.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1103 -4.0047 7.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 -3.7569 6.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 -2.7643 5.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 -2.5030 4.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9212 -1.3947 6.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 -1.7054 7.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9049 -0.2789 5.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6185 0.6329 6.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 1.2570 4.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5386 -0.4443 3.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 1.1784 5.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 -0.4800 4.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 1.9565 3.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 0.2606 2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 1.2817 2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 0.4199 3.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1899 3.4581 3.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 2.6984 3.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 1.8253 5.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 2.9926 5.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 4.0298 6.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 3.8276 5.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 5.0780 4.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 6.0160 5.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 5.3783 4.0873 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 2 0 33 34 1 0 34 35 1 0 35 36 2 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 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 73 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 1 78 1 0 1 79 1 0 1 80 1 0 2 81 1 0 2 82 1 0 3 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 1 26110 1 0 26111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 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 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 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 74185 1 0 74186 1 0 75187 1 0 75188 1 0 76189 1 0 76190 1 0 77191 1 0 77192 1 0 77193 1 0 M END