HMDB0055444 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 183182 0 0 0 0 0 0 0 0999 V2000 0.4379 -6.5448 -6.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 -6.0785 -4.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 -5.6036 -4.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 -4.3919 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 -3.3386 -3.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 -2.1815 -4.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 -1.0063 -4.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1365 -0.7887 -2.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -0.4099 -2.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6362 0.6523 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 1.7172 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 2.9735 -1.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 3.9460 -0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 3.8117 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 4.9353 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 5.6805 2.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 5.3317 2.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5186 6.4441 2.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7802 5.6850 2.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0117 6.4466 3.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1663 5.4370 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8666 4.2314 4.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1144 4.1201 5.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2658 3.1664 3.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 1.9326 3.8894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2423 1.2325 2.6623 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1472 1.3717 1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4801 0.9881 0.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 1.0343 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2225 1.4638 -1.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 0.6292 -2.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8937 1.7742 -3.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1789 1.2522 -4.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 2.4117 -5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0117 1.8039 -6.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7602 2.0270 -6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 2.9366 -5.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 4.0250 -6.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 4.2377 -6.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 3.3847 -6.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 2.8510 -7.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0976 3.0857 -7.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 3.8977 -6.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 5.0267 -6.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 5.2148 -6.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 4.3782 -6.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3102 5.2612 -5.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7827 -0.0414 2.9212 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 -0.3490 2.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 0.5821 2.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 -1.7312 3.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3268 -1.9235 4.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -1.1631 4.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -1.3517 4.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 -1.1836 2.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7078 -1.2728 2.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 -1.1326 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 -1.0294 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8759 -1.9962 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 -2.1520 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8748 -3.1346 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3405 -4.5028 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2091 -5.1339 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -6.4283 1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -6.8932 2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9319 -6.0599 3.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0326 -6.9411 4.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 -6.2653 5.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -5.6466 5.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -5.0152 7.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -4.0301 7.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2992 -2.8846 6.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -1.9626 7.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1452 -5.7693 -6.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 -7.4692 -6.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 -6.7727 -6.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 -5.4965 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 -7.0612 -4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 -6.3560 -4.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -4.1205 -3.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 -3.6656 -4.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 -3.2099 -2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 -2.3659 -5.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7997 -0.1424 -4.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4099 -1.5893 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.0850 -2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -1.1227 -2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6308 0.8175 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 1.6126 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3709 1.6826 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 3.0166 -2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 4.8571 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 3.8032 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 2.9063 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3344 5.2117 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5552 6.4967 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 5.2862 3.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 4.3441 2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 7.1846 3.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 6.9780 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9931 5.1076 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5219 4.9555 3.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2289 7.1399 2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9842 7.0390 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0341 5.9750 3.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4498 5.1333 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9858 2.0469 4.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5799 1.2877 4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 1.8799 2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4256 2.4376 1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0901 0.7982 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5018 -0.0792 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0918 0.0494 -2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7593 2.3713 -3.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 2.4532 -2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 0.5737 -4.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 0.6923 -3.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 3.1070 -4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6909 2.8578 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 1.1024 -6.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 1.5309 -7.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 3.4929 -5.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 2.3301 -5.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 4.7007 -7.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 5.0571 -7.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 3.8425 -5.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 2.4195 -5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 2.2487 -8.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 2.6484 -8.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 4.3972 -5.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 3.2947 -5.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7367 5.6761 -7.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1384 6.0657 -7.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3266 3.4168 -5.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 4.1424 -6.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7294 6.1172 -5.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1494 4.7547 -4.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 5.7056 -4.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 -2.3967 3.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3836 -2.1757 2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0425 -3.0339 4.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 -1.8205 5.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -0.0472 4.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 -1.1252 5.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -0.5606 4.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 -2.3318 4.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2153 -0.3013 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2003 -2.1112 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0323 -2.2662 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3019 -0.4724 2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9788 -1.9815 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.1728 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 -0.8305 -1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3081 -0.0082 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4678 -2.9916 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5123 -1.6972 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -1.1740 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2129 -2.5513 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3077 -2.7788 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7007 -3.0397 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 -4.6335 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0452 -5.1749 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -5.3009 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 -4.3822 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 -7.0887 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 -7.8449 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -5.8350 3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -5.2256 3.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -7.3100 4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -7.8253 4.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -5.5181 6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 -7.0167 6.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 -4.8458 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -6.4056 5.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0925 -4.4896 7.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0011 -5.7738 8.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 -3.6003 8.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 -4.5662 7.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5967 -3.2251 5.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -2.2068 6.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -1.3189 7.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -2.6532 7.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8771 -1.3986 6.3295 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 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 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 26 48 1 0 48 49 1 0 49 50 2 0 49 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 2 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 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 6 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 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 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 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 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 72179 1 0 72180 1 0 73181 1 0 73182 1 0 73183 1 0 M END