HMDB0055395 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/24:0/20:5(5Z,8Z,11Z,14Z,17Z)) 179178 0 0 0 0 0 0 0 0999 V2000 4.0660 1.8820 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 1.6600 -0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 2.9421 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 3.6424 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 3.2529 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9078 3.1493 2.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9551 2.0488 3.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 0.7883 2.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -0.1778 2.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4374 -1.2292 3.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -1.7868 4.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -1.8173 5.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 -1.4115 7.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -0.8311 7.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4176 0.5103 7.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 1.5329 7.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 1.4953 6.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 2.5213 5.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6616 3.9147 6.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 4.9493 4.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 5.4800 4.7562 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 5.2871 4.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 6.2351 3.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 6.4935 2.3804 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4729 7.4543 2.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 6.9629 3.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4883 6.4769 4.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 6.4275 5.6701 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 6.0003 5.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 4.5194 5.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0289 4.1272 4.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2909 2.6059 3.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2985 2.3984 2.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4838 1.5777 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 0.7894 2.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 1.2030 2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2446 0.4235 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 -1.0238 1.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -1.7082 2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -2.4181 1.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 -2.5663 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4702 -3.9700 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 -4.5402 -1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -3.9332 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 -4.7566 -1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0486 5.3972 1.7341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 5.2226 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5863 6.0715 -0.3682 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7491 4.0313 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 4.1557 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 2.9425 -2.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 2.8727 -3.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4587 2.8404 -4.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 1.6428 -4.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5716 1.7604 -5.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 0.6837 -5.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -0.6948 -5.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3877 -0.9744 -6.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1267 -2.3952 -6.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -3.4328 -6.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -4.8254 -6.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6758 -5.0353 -5.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -6.4466 -5.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1907 -6.5997 -4.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 -5.6537 -4.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2373 -5.9043 -3.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -5.6629 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -5.8895 -0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6354 -4.9681 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1892 -3.5162 -0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3996 -2.5915 -0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 2.9864 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 1.5050 -3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 1.3591 -2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 0.9010 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 1.2437 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 3.3525 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 4.6005 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6352 2.3857 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 4.0868 1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 4.0707 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 2.0052 4.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6345 0.5099 3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7997 0.7786 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2416 0.0741 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -1.9121 3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -1.3242 4.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -2.8653 4.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 -2.2443 5.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 -1.5199 7.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -0.9449 6.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9687 -1.5432 8.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1399 0.6890 8.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 2.4734 8.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6461 1.7399 6.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5435 0.4779 6.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 2.4469 4.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 2.3831 4.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 3.9491 6.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 4.0226 6.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 6.0217 2.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 7.2047 3.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 7.1015 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 8.3877 3.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0263 7.9264 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 6.4932 5.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 6.3257 6.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 4.0297 5.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 4.2237 5.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1091 4.4377 3.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8605 4.7136 3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3255 2.4730 4.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 2.1344 4.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 2.9854 1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 1.4405 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 0.7127 3.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 -0.2716 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 2.2689 2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 0.8158 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 -1.4337 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -1.2374 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6429 -1.5791 3.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -2.8945 2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 -1.8496 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 -2.2293 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -4.5399 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 -5.5987 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -4.1141 -2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 -2.9034 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 -5.8459 -1.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9668 -4.4789 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -4.4752 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 3.8937 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 3.1200 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7151 4.1997 -2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 5.0662 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0015 1.9969 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 2.9309 -1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 3.7306 -4.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 1.9717 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8046 3.7302 -4.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 2.8286 -5.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 1.7589 -3.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 0.7450 -4.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0841 2.7343 -5.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 1.8836 -6.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1093 0.7359 -4.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 0.9470 -6.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -1.3815 -5.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -0.9469 -4.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 -0.3013 -6.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -0.7636 -7.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -2.5056 -6.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -2.4940 -7.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5919 -3.3089 -5.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 -3.3678 -7.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 -4.9805 -7.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -5.6102 -6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 -4.3827 -5.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 -4.8837 -4.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 -6.4695 -6.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 -7.2283 -5.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 -6.3584 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -7.6257 -4.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 -5.8093 -5.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0143 -4.5784 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5706 -6.9758 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1506 -5.3031 -3.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -4.6684 -2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6882 -6.4123 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8356 -5.5900 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 -6.9465 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 -5.1384 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2719 -5.1155 -1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6311 -3.2567 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5484 -3.2977 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3481 -3.1528 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4356 -1.9948 -1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3848 -1.8562 -0.1103 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 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 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 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 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 6 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 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 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 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 71179 1 0 M END