HMDB0052390 RDKit 3D TG(24:1(15Z)/O-18:0/18:3(9Z,12Z,15Z)) 184183 0 0 0 0 0 0 0 0999 V2000 5.6673 0.8047 3.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6437 1.4651 1.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 2.7606 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 3.9257 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 4.1132 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 4.6888 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 5.0376 -1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 4.9620 -1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 4.1500 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 4.6775 -3.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 6.0560 -3.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8373 6.1151 -3.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3643 7.5448 -3.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 7.6080 -3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 6.6925 -2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6197 6.9480 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3868 5.9234 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 5.9828 0.9105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 7.0486 1.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9014 4.8275 1.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 4.5309 2.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 2.9367 2.9245 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1742 2.7570 4.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 1.5828 4.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 0.2977 4.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 0.0396 4.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -0.8383 5.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -2.1422 4.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 -3.3084 5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 -3.2545 4.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 -4.3639 4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 -4.0394 3.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1168 -3.8257 1.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -4.8631 0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 -5.6035 1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 -6.5266 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -7.2866 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 -8.2067 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -7.3929 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -8.2732 -1.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -8.2216 -2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 -7.2973 -3.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -6.4189 -4.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -5.3782 -5.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -4.5141 -5.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 -3.4971 -6.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 -2.6123 -5.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -1.5881 -6.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 -0.6368 -5.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 2.8019 1.9765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 2.3299 0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 0.9352 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.0545 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -1.4728 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -2.1414 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -1.7482 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -1.9316 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 -1.5220 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7711 -0.0225 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0419 0.3842 -1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2282 1.8020 -2.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4726 2.8024 -1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 2.8601 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8312 4.0613 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1942 4.0103 1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5637 2.8970 2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8646 2.7982 3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3866 2.6145 3.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.5733 3.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 0.0791 3.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 0.3323 3.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0526 0.7903 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6751 1.4949 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 2.7635 2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8211 4.8309 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 4.8313 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 3.1982 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 4.8517 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 5.4732 -2.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 4.3650 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 5.9180 -1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8893 3.1459 -2.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 4.0093 -4.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 6.7396 -2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 6.5166 -4.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 5.6194 -4.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 5.4894 -2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 8.2040 -4.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 7.9257 -2.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 8.6465 -3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 7.3683 -4.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 6.6695 -3.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 5.6344 -3.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 6.9433 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 7.9655 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2565 4.9262 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4767 6.1864 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 4.9469 3.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5075 4.6600 3.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 2.4854 2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 3.6037 4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 2.8324 5.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 -0.6202 5.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 -0.8081 4.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -2.2681 3.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -2.1404 5.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -3.2510 6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -4.2597 5.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 -2.3295 4.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -3.1654 3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 -4.2727 5.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 -5.3763 4.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 -3.0926 3.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 -4.8658 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4528 -2.8994 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -3.4300 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 -4.4333 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -5.5841 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 -6.3434 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -5.0257 2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -5.8718 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 -7.2345 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -7.9355 2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 -6.6207 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8764 -8.7416 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 -8.9036 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 -6.8750 0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -6.6116 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -9.0108 -0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 -8.9335 -3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 -7.8625 -4.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1241 -6.6916 -2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4175 -5.9137 -3.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -7.0960 -5.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 -5.8451 -5.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -4.7318 -4.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2607 -5.1563 -6.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 -4.0333 -5.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 -2.8132 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1475 -3.9744 -7.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 -3.1765 -5.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -2.0537 -5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 -1.0078 -7.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -2.1407 -7.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 0.3146 -5.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 -1.0611 -4.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 -0.3914 -6.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.3288 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4021 3.0507 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 0.8662 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 0.7807 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 0.0767 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 0.2299 1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 -2.0567 1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -1.6997 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 -2.2394 -1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -3.2512 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3882 -2.5328 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.8117 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2606 -1.3342 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -3.0155 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5814 -1.7645 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8881 -2.1100 -1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 0.1086 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 0.4769 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0957 -0.2016 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9422 -0.0280 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0498 1.9237 -2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3231 2.1729 -2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5536 2.7784 -0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4339 3.8274 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6521 1.9418 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 2.9437 -0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 4.1573 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8126 4.9431 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 4.1531 0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3088 4.9651 2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6599 2.9612 2.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4444 1.8862 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1391 3.6910 4.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2975 1.9315 4.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 1.9647 4.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8844 3.5964 3.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 2.1232 2.8605 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 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 2 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 22 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 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 0 21 99 1 0 22100 1 6 23101 1 0 23102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 41130 1 0 42131 1 0 42132 1 0 43133 1 0 43134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 48143 1 0 48144 1 0 49145 1 0 49146 1 0 49147 1 0 51148 1 0 51149 1 0 52150 1 0 52151 1 0 53152 1 0 53153 1 0 54154 1 0 54155 1 0 55156 1 0 55157 1 0 56158 1 0 56159 1 0 57160 1 0 57161 1 0 58162 1 0 58163 1 0 59164 1 0 59165 1 0 60166 1 0 60167 1 0 61168 1 0 61169 1 0 62170 1 0 62171 1 0 63172 1 0 63173 1 0 64174 1 0 64175 1 0 65176 1 0 65177 1 0 66178 1 0 66179 1 0 67180 1 0 67181 1 0 68182 1 0 68183 1 0 68184 1 0 M END