HMDB0046057 RDKit 3D TG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)) 181180 0 0 0 0 0 0 0 0999 V2000 0.9835 0.3005 7.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 1.0524 6.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 0.7225 5.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 1.4077 4.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 2.9228 4.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 3.4455 2.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4655 4.2015 2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 4.6613 2.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 4.2940 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8611 5.2059 1.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 6.5902 1.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 7.5756 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1818 7.4715 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 6.2199 -1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4621 6.5351 -2.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 6.4095 -3.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 5.9604 -3.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 4.8869 -5.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 3.6608 -4.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 2.9521 -3.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0247 1.8291 -3.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 0.9466 -2.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -0.2452 -2.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 1.1544 -1.3265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 0.1176 -0.3815 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0358 0.4344 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2149 -0.5323 1.8965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -1.8777 1.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -2.3425 0.8166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -2.7845 2.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 -2.5877 4.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 -2.7351 4.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -1.7734 3.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 -0.8786 3.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 -0.7363 5.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3671 0.6089 5.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1652 1.4571 6.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5577 1.4345 6.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3597 0.2854 6.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4247 0.1773 5.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9507 1.2647 4.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 0.8077 3.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6541 0.3819 2.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7095 -0.0566 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 0.9935 0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2485 2.2030 0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 3.2033 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1757 3.6662 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2573 -0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8918 0.8191 0.0313 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 0.4326 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 -0.7880 -0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 1.3183 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7084 2.0864 -0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 1.0496 -2.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 1.7523 -3.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3958 0.8323 -4.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9903 0.4481 -4.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 -0.4979 -5.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3932 -1.8621 -5.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0869 -2.7855 -6.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -4.1853 -6.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9845 -4.6875 -5.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -4.7017 -5.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -5.1688 -3.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -5.1570 -3.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8046 -5.5591 -2.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0707 -6.8600 -2.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -8.1234 -2.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 -8.4659 -4.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -9.8683 -4.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 0.4409 8.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 -0.7817 7.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 0.6884 8.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 0.7402 5.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0181 2.1437 6.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 0.9723 6.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 -0.3863 5.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2614 1.1248 3.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.1405 3.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 3.2585 4.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 3.1627 4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 3.1722 2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 4.5147 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 5.6705 3.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0763 4.0337 3.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 3.2574 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7398 4.7956 1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 6.9620 2.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 6.8104 2.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 8.6452 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9081 8.4007 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 6.1308 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 5.3049 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 6.8532 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0072 6.6712 -4.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5048 6.8453 -4.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 5.6829 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 5.2261 -5.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 2.9711 -5.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 3.6814 -3.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 2.5881 -4.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 1.2344 -4.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0147 2.2618 -3.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 -0.8071 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 0.5668 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 1.4520 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -3.8694 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 -2.7504 3.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -3.2532 5.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 -1.5185 4.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 -3.8049 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1814 -2.7676 5.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 -1.8656 2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8706 -0.2000 3.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 -1.4417 6.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7985 -0.9986 5.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2869 0.8587 5.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 2.4515 6.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 2.3861 6.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7006 1.7432 7.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1242 -0.6348 7.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9684 -0.7823 5.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4316 2.2094 4.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0453 1.3906 5.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4002 1.6046 2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6771 -0.0748 3.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2097 -0.4075 3.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9604 1.2558 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6599 -0.3447 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3326 -0.9680 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1438 0.5482 -0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1831 1.3680 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1287 2.6824 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2558 1.8646 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8513 2.6841 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1006 4.0725 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3875 4.5352 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2862 3.9834 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9177 2.8759 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 -0.7286 -1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 -1.0414 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.7586 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0901 2.0947 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8666 2.7229 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6709 2.6125 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9967 0.4556 -2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6867 0.3328 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 2.5661 -3.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 2.1934 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 1.4452 -5.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0392 -0.0495 -4.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 1.3806 -5.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 -0.0223 -3.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 -0.6706 -6.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 -0.0798 -6.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -1.7329 -5.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -2.2684 -4.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -2.4454 -7.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.7817 -7.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6899 -4.1277 -6.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2763 -4.8469 -7.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 -5.7680 -5.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -4.2094 -4.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -3.7083 -5.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 -5.4941 -6.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -4.4016 -3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -6.1473 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1204 -5.6351 -4.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -4.0377 -4.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3282 -5.4342 -2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 -4.7061 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 -6.8823 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -6.9170 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -8.9612 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 -8.1767 -3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -8.5957 -3.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 -7.8284 -4.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 -10.4614 -3.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 -9.7452 -5.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7006 -10.4053 -5.0587 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 28 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 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 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 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 3 78 1 0 4 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 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 6 26106 1 0 26107 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 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 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 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 70177 1 0 70178 1 0 71179 1 0 71180 1 0 71181 1 0 M END