HMDB0046902 RDKit 3D TG(22:0/20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 179178 0 0 0 0 0 0 0 0999 V2000 11.4862 1.5185 -5.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0828 0.7256 -4.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8988 -0.6562 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7651 -1.3189 -4.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5284 -0.7244 -4.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -0.6851 -5.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 -1.2414 -5.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9907 -2.0443 -3.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 -1.2685 -3.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 -1.6957 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -3.0071 -3.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -2.6230 -4.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 -2.9737 -3.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -3.7768 -2.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -4.9003 -3.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 -5.0784 -3.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2559 -4.2595 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9446 -5.2968 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 -4.7252 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 -4.1362 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 -4.2364 0.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 -3.4626 2.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 -3.0234 3.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 -2.2963 4.3006 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6297 -3.1870 5.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8012 -4.3902 5.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 -4.3088 5.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 -3.3034 6.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -5.4229 5.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8187 -5.0297 6.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1914 -3.7327 5.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 -3.4294 5.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2797 -4.3930 4.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 -4.1362 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -2.7234 2.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 -2.4863 1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9081 -1.0429 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -0.6779 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 -0.5802 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1789 -0.2531 -1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 -0.0689 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9744 1.1497 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 1.2164 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 2.4544 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4651 2.4967 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 3.7951 1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3546 3.8610 1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7694 5.1696 2.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3786 6.3555 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 -1.0317 3.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 0.0749 4.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 -0.2093 4.7898 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 1.5014 3.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 2.2066 4.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 3.6742 3.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 4.2046 4.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2156 5.6264 4.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 6.2681 2.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0754 5.7309 1.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7386 5.2742 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 5.2296 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 6.1905 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 5.9641 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 4.6195 -2.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6615 4.8229 -3.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 4.6840 -4.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 4.3056 -5.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 3.0602 -6.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 1.9499 -6.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 1.6938 -5.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 0.5733 -4.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5105 1.1564 -6.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8151 1.2328 -6.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5302 2.5901 -5.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2872 1.2865 -4.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0157 0.8077 -3.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7546 -1.1984 -5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 -2.3643 -5.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7643 0.3949 -4.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3279 -1.0491 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 -0.1109 -6.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 -1.1728 -5.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 -2.2409 -3.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6465 -3.0562 -4.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 -0.2373 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1141 -1.0652 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 -3.6760 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 -3.5531 -4.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -2.0497 -5.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.6653 -4.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 -4.2868 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0582 -3.1251 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -5.5295 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0064 -5.9164 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -3.6486 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0681 -3.6880 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5246 -6.0237 -1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -5.9196 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -4.0206 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 -5.5646 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 -2.2802 2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 -3.8722 3.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 -2.1524 4.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 -2.7542 6.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5746 -3.4893 4.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -5.9321 4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 -6.1872 6.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -5.8488 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 -4.9351 7.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 -3.5215 4.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 -2.9017 6.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -2.4201 5.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 -3.7052 6.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 -4.0815 4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -5.4164 4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 -4.5823 3.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 -4.7645 2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6494 -2.4885 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 -1.9511 3.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 -3.1307 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.6713 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 -0.3441 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 -1.0509 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -1.4515 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 0.2745 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6106 0.2386 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8553 -1.5025 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 0.7209 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -0.9752 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 -0.0281 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -0.9667 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 0.9745 0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6464 2.0988 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7293 0.3663 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9627 0.9982 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 3.2853 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3944 2.7871 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0373 2.4037 -0.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7775 1.6380 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3708 3.8048 2.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5511 4.6796 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6947 3.0503 2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9432 3.7524 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8851 5.1495 2.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3196 5.2434 3.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5852 6.1544 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2711 6.4920 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8526 7.2971 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 1.6838 2.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5526 1.8755 4.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.9829 5.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 1.6968 3.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7667 3.9494 3.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 4.1677 4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 3.6246 3.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 3.9084 5.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 6.1990 4.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 5.8794 4.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 6.3197 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 7.3433 2.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 5.7439 2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 4.8802 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 5.5646 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 4.2111 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 7.2501 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 6.8127 -2.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 3.9196 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 4.1858 -3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5038 5.1060 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 4.8483 -5.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 4.2385 -5.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9137 5.0888 -6.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 3.0480 -6.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 1.0703 -6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 1.2952 -6.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0604 2.5993 -5.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3527 0.8710 -3.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -0.3897 -5.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 0.4979 -3.9360 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 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 48 49 1 0 24 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 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 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 48144 1 0 48145 1 0 49146 1 0 49147 1 0 49148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 71179 1 0 M END