HMDB0052933 RDKit 3D TG(18:3(6Z,9Z,12Z)/24:0/22:2(13Z,16Z)) 193192 0 0 0 0 0 0 0 0999 V2000 4.4693 5.0922 -3.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4014 6.0239 -4.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 6.3311 -5.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9548 7.2347 -6.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 6.5763 -6.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 7.3405 -7.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 7.8151 -6.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 7.6573 -5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 6.9092 -5.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 5.8135 -4.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 5.1506 -3.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 3.7734 -4.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3509 2.6628 -3.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 2.6904 -2.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1506 1.9445 -2.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1801 0.5008 -2.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 -0.4144 -1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 -0.1989 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6589 0.3099 -0.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -0.4637 -2.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3024 -0.2908 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -1.0189 -1.1064 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5180 -0.5183 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3767 -0.5538 -2.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5455 -0.0323 -3.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 0.7636 -3.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 -0.2449 -4.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 -1.0961 -3.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 -2.5780 -3.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7071 -3.2216 -2.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 -4.6797 -2.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5344 -5.2801 -2.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -4.8345 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 -5.7737 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -5.4630 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 -6.6085 1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7388 -6.3787 2.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 -7.5937 2.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 -7.6536 2.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2423 -6.5185 2.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 -7.0472 1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -7.1886 1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 -6.8250 2.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 -5.8444 1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6096 -4.6423 1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8194 -3.8076 2.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 -2.6112 1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6617 -0.7552 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 -1.7308 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5974 -2.9345 0.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0063 -1.3621 2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 -2.6047 3.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 -2.4384 4.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -1.7370 4.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4062 -1.6798 6.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -0.9517 6.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 -1.5651 5.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0912 -0.9728 5.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1076 0.5161 5.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5334 1.0444 5.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2036 0.4777 3.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4809 0.8353 2.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4484 2.2412 2.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 3.3055 3.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9171 4.6605 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8084 4.6929 1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4616 4.4761 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 4.5484 1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 4.3952 1.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 4.4936 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 4.3999 1.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 3.0770 2.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 3.0145 2.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6613 4.3025 -4.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9976 4.5683 -2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 5.6277 -3.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3275 6.9678 -3.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 5.4221 -4.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8857 6.7520 -5.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9053 5.3622 -6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 7.3761 -7.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 8.2341 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 6.3141 -5.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 5.5990 -6.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8618 7.5280 -8.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 8.3817 -7.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 8.7429 -5.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1931 7.3684 -4.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 7.3173 -5.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 5.3314 -4.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6635 5.2706 -2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 5.6424 -3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 3.7221 -5.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1406 1.7178 -4.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 2.3684 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 3.7363 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 2.1377 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 2.4658 -2.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 0.1160 -2.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6491 0.3257 -3.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6728 -1.4700 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9718 -0.3302 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -0.6730 -3.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 0.7775 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 -2.1305 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -0.8722 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 0.6078 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -0.6694 -5.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 0.7540 -4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6093 -1.0502 -4.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -0.6731 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 -2.6791 -2.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2341 -3.0695 -4.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 -2.8318 -3.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 -2.8164 -1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 -5.1612 -3.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6349 -5.0243 -2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5561 -5.1424 -2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -6.4194 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 -4.9489 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -3.7708 -0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 -5.7575 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -6.7813 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 -4.5085 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 -5.4533 1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 -6.8894 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 -7.4936 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5021 -6.3009 3.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 -5.4351 2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 -8.5130 3.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 -8.5895 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8322 -6.3239 3.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 -5.6337 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 -7.3162 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -7.6026 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 -7.7804 2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6976 -6.3933 3.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9172 -5.5311 2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -6.3795 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4663 -3.9939 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 -4.9080 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 -3.4035 2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 -4.3401 2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 -2.4585 0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 -2.8302 1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -1.6782 2.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 -0.6579 2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -0.9093 2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8474 -3.1669 3.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 -3.3337 2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 -1.8753 5.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -3.4269 5.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 -0.7126 4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -2.3244 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4896 -2.7188 6.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -1.1590 6.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 0.1289 6.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1534 -1.0068 7.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 -2.6510 5.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3271 -1.3400 4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7353 -1.4685 4.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5193 -1.2405 6.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 0.9680 6.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 0.7805 4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6713 2.0691 5.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0631 0.4829 6.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2061 0.9731 3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3982 -0.5834 4.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4194 0.4683 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9691 0.2079 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7197 2.2601 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4209 2.4861 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9507 3.4912 3.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 3.1548 3.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7789 5.4472 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8684 4.8379 1.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7987 5.7230 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 3.9959 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 5.2130 2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5286 3.4845 2.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4259 3.7170 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 5.5132 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 5.1449 2.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9312 3.3914 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 3.6386 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 5.4035 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 5.2363 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 4.4549 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4117 2.2371 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 2.9770 2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1865 2.4540 3.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 4.0694 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 2.6130 1.6645 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 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 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 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 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 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 6 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 47146 1 0 51147 1 0 51148 1 0 52149 1 0 52150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 73193 1 0 M END