HMDB0055013 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 187186 0 0 0 0 0 0 0 0999 V2000 5.3940 -4.0278 -5.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 -5.0911 -6.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3352 -5.1386 -8.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 -5.4000 -7.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -5.4817 -9.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3304 -4.2402 -9.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -3.5266 -10.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -3.8704 -10.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 -2.6649 -9.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 -2.4994 -8.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 -3.4800 -7.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2013 -3.0536 -6.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 -3.6828 -5.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -5.0183 -5.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7878 -6.0197 -6.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -7.1944 -5.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -7.5968 -4.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 -8.8441 -4.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 -8.8723 -3.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 -7.7076 -2.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -7.7895 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4786 -6.4180 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 -6.1375 -0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -5.6066 0.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -4.3248 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 -3.5266 1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -3.8895 2.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2944 -3.6142 3.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 -3.4770 4.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 -3.7460 5.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 -2.9921 4.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 -2.2314 6.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 -1.2181 6.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 0.0547 6.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6992 0.8984 5.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 1.7091 4.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 1.7448 3.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 0.9240 3.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6653 -0.0275 2.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 -0.0724 0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 0.7469 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 1.8405 0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 3.0924 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9006 3.5464 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 4.4655 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 5.7245 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5408 6.3854 -1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 6.9051 -2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 7.8933 -2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 8.3771 -3.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 9.0646 -4.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -3.3796 0.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 -2.0503 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -1.1419 0.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 -1.8328 -0.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -1.7086 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 -0.7025 0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 0.7156 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 1.4589 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 2.8784 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2484 3.8180 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 5.2775 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9878 5.7511 2.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6133 7.1938 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 7.4151 4.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2957 7.1211 4.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7229 6.1936 5.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8250 5.3283 6.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 5.5675 7.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3163 4.7211 8.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 3.2434 8.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6403 2.5726 8.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9942 2.8267 8.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2844 2.5582 6.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0396 1.1069 6.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 -3.2487 -6.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 -4.4429 -4.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2307 -3.4990 -5.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -6.0841 -6.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0423 -4.9340 -6.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7538 -6.0382 -8.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5474 -4.1962 -8.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -6.3552 -7.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 -4.5981 -7.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 -5.9851 -9.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8573 -6.2361 -9.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 -3.8868 -10.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 -2.5647 -10.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 -4.0806 -11.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 -4.7045 -9.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 -1.7084 -10.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 -1.4490 -8.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -3.4050 -7.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 -4.4835 -7.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -2.0014 -5.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -3.0743 -4.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 -5.4265 -4.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 -4.9684 -5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 -5.9235 -7.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -7.9321 -6.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 -6.8441 -3.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -7.9228 -4.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 -9.7459 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -9.8645 -2.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 -6.7281 -2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -7.6874 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -8.5125 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 -7.9828 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -3.7387 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5796 -4.3769 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 -2.4832 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 -3.3129 2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 -4.9817 2.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 -3.9380 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -2.4582 3.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5644 -2.9388 6.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -1.7878 6.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 -1.6605 6.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 0.6699 6.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 1.5860 6.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6228 0.3647 5.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 2.3725 4.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4261 2.3710 2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3911 0.3301 4.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 1.6560 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -0.7788 2.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7628 -0.8999 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 1.0507 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 0.0022 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5821 1.6887 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 3.8608 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 4.0467 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 2.7408 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 4.0565 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 6.3225 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9352 7.3416 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 5.8697 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 6.1011 -3.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4536 7.4445 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 8.7573 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 7.4477 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 7.5586 -3.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 9.1413 -3.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 9.7436 -3.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 9.6789 -4.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 8.2723 -4.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 -0.9557 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8676 -2.7129 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 -2.7167 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9413 -1.6375 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 -0.7142 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 -1.0770 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 1.1351 -0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.8479 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9045 1.3185 2.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2136 0.9447 2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 3.0339 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6386 3.2262 2.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3277 3.7322 0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 3.5731 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 5.3245 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2797 5.8844 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0915 5.6966 2.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 5.1443 3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 7.8332 2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 7.4286 2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 6.9626 4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 8.5392 4.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0326 7.7435 3.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8205 6.1071 5.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 5.6400 6.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9599 4.2768 5.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9289 6.6401 7.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2214 5.4205 7.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 5.0354 8.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 4.9816 9.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5529 2.8344 9.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 2.9764 7.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5081 1.4141 8.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7008 2.6641 10.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6672 2.0459 8.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4799 3.7801 8.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4311 2.6524 6.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9158 3.2566 6.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 0.7492 7.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8996 0.4751 6.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9219 1.0976 5.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 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 2 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 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 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 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 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 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 74183 1 0 74184 1 0 75185 1 0 75186 1 0 75187 1 0 M END