HMDB0055921 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 189188 0 0 0 0 0 0 0 0999 V2000 -6.6206 3.6481 -2.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1805 2.2451 -2.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 2.3513 -1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8317 1.6764 -2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 0.7608 -3.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 -0.6065 -3.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3169 -1.6887 -3.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7302 -1.7007 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -2.2052 -2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5539 -2.7356 -1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2962 -2.9935 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -4.4779 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 -5.0125 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1394 -4.3804 1.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 -4.8597 2.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 -4.0896 3.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 -2.6127 3.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 -2.1565 4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 -1.5755 4.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -1.3203 4.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1343 0.1797 4.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 0.2782 3.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 -0.8319 2.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 1.4391 2.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 1.1545 2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4965 2.1473 1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 1.0613 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 0.4526 -0.3669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -0.5532 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9354 -0.9888 -1.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 -1.1729 -1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 -0.5089 -1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.8109 -1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 1.8710 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4745 2.0897 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 2.5891 0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 3.7955 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 4.6673 1.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 5.7348 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 6.9783 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 7.7411 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 8.6154 1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 8.8378 2.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0737 8.3288 3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 7.4938 4.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 6.2877 4.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 5.5733 4.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7587 5.4425 6.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 4.3274 7.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 3.0131 6.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 2.3018 7.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 2.8637 0.2533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 3.9352 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 4.3956 -0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3922 4.6629 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 4.8883 -2.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6249 5.5394 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4605 4.7659 -4.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 3.4021 -4.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5001 2.7216 -5.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 1.2972 -5.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.5311 -6.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 -0.8985 -6.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.5697 -5.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -3.0525 -5.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 -3.4582 -4.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -4.8841 -4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -4.8700 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 -5.5309 -2.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -6.4857 -1.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -7.8035 -1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 -8.9163 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6677 -8.5761 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -8.2302 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -9.2710 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9367 -8.7405 3.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 -7.4834 2.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6883 3.6009 -2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5251 4.3804 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9994 3.9530 -3.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4368 1.5380 -2.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7904 1.9567 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5397 3.0239 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 1.8361 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 1.1477 -4.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 0.8613 -4.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -0.7173 -3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 -2.6337 -3.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9295 -2.2626 -4.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0509 -0.6558 -3.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7881 -2.1046 -2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4827 -3.0517 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -2.5129 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 -2.5758 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -5.0649 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0087 -6.1262 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0653 -4.8400 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 -3.3168 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8282 -5.9562 2.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 -4.5863 3.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 -2.3559 2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7522 -2.1316 2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 -2.3216 5.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 -1.2572 6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -1.6758 3.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3266 -1.8108 4.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 0.4177 5.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9711 0.7819 3.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 0.7511 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 0.1854 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 2.5816 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 1.7004 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 0.5003 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -1.1941 -2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.2355 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3112 -0.4508 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 -1.1789 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 0.8990 -2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 2.7927 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 2.5923 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5416 1.0454 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 1.9075 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 4.1880 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1675 5.1816 2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 4.2859 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9411 5.3192 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 7.6539 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3236 7.1194 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 8.4291 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 9.1919 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 9.5725 2.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 9.2287 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 7.8805 3.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0046 7.9355 4.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 5.7692 5.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 6.0848 4.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 4.5960 4.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 6.4064 7.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1598 4.3680 8.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 2.3376 6.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5686 3.0248 5.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 2.1594 6.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 2.9580 8.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 1.3182 7.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 5.6473 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4868 4.1166 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1233 5.5456 -2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 3.9020 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 6.5300 -3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 5.7286 -4.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 4.8335 -3.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 5.3599 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2268 2.7312 -4.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 3.4808 -5.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2589 2.6156 -4.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 3.2679 -6.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5496 1.3398 -6.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 0.7842 -4.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 0.4514 -5.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 0.9930 -7.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -0.8091 -7.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 -1.4538 -6.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -1.0709 -5.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0339 -1.5687 -4.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -3.1461 -6.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1913 -3.6776 -5.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 -2.7350 -4.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0724 -3.3037 -3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 -5.6025 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -5.2056 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -4.1832 -3.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 -5.4425 -1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -6.2361 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 -6.6759 -2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -7.6453 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -8.0748 -2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1769 -9.7698 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9213 -9.1774 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -7.7504 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0553 -9.4870 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 -8.0329 2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -7.2410 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 -9.5553 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7051 -10.1625 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6007 -9.4854 3.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -8.4681 3.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 -6.5622 2.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 -7.6123 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -7.3920 3.7260 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 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 2 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 0 25110 1 0 26111 1 0 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 69172 1 0 70173 1 0 70174 1 0 71175 1 0 71176 1 0 72177 1 0 72178 1 0 73179 1 0 73180 1 0 74181 1 0 74182 1 0 75183 1 0 75184 1 0 76185 1 0 76186 1 0 77187 1 0 77188 1 0 77189 1 0 M END