HMDB0053043 RDKit 3D TG(18:3(6Z,9Z,12Z)/24:1(15Z)/20:3n6) 183182 0 0 0 0 0 0 0 0999 V2000 -5.6486 2.5718 3.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6373 2.1606 2.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 0.8246 2.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9201 0.3231 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -1.0646 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2153 -1.7348 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 -2.1767 -0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 -2.1693 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 -1.5715 -1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 -0.6486 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 0.0444 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 -0.3545 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 0.4734 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 1.9123 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 2.5665 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7839 3.9828 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 5.0136 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 5.2298 1.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 6.2710 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 5.9427 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 5.4295 -0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 6.2012 1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6463 5.9074 0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 4.3245 0.4424 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3787 3.9244 1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 2.5985 2.0172 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5724 2.1196 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 2.9443 4.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 0.7458 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 0.4622 4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -0.9540 5.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -1.2507 6.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 -2.6219 6.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -3.6212 7.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 -3.5909 8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 -4.5691 7.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4566 -4.3584 7.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1182 -3.0210 7.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3402 -3.1275 7.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5453 -2.8897 7.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9173 -2.4668 6.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6316 -1.1413 6.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0699 -0.4606 5.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0102 -1.1515 4.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5431 -2.4145 3.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 4.0189 -0.4674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 3.3348 -1.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1025 2.9436 -1.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 3.0817 -2.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2021 2.1631 -3.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 1.9437 -4.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 1.0056 -5.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 0.7909 -6.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 0.2018 -5.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6318 -1.1501 -5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -1.6698 -4.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -3.0147 -3.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6935 -3.4713 -3.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 -3.5724 -3.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0256 -4.0649 -2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4194 -4.2470 -3.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5426 -5.1654 -4.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 -4.8882 -5.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 -3.5863 -6.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 -3.0454 -7.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -1.7559 -7.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 -0.6250 -6.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9903 -0.2453 -6.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9203 0.9029 -5.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4485 1.3091 -5.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 1.7857 -6.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5695 1.6530 4.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7804 3.2057 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 3.1506 4.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 2.0202 2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1487 2.8856 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5192 0.0825 2.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 0.8590 2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8906 0.1982 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2369 0.9686 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8147 -1.6665 1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 -0.8830 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2132 -1.8470 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 -2.6705 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 -3.2574 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 -1.6797 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0899 -2.0170 -2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 -0.2886 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 1.1199 -0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 -0.1589 0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8197 -1.4254 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 -0.0261 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 2.0309 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7653 2.3489 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 2.0112 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 2.3146 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 4.2944 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 4.0624 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 4.8463 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 5.9941 0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 5.5316 2.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 4.3090 2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4811 6.4457 2.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 7.2274 1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 6.3452 -0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5189 6.2171 1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 4.0423 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5736 4.5568 2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2863 4.1654 2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 0.0085 3.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1739 0.5429 2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 0.6724 5.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0265 1.1587 5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 -1.0467 4.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 -1.6966 4.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.5374 6.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 -1.0816 7.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 -2.7601 6.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4775 -4.5862 7.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 -2.6245 8.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -3.9070 9.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8898 -5.6361 7.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0558 -5.1636 6.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3817 -2.6570 6.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4453 -2.2721 7.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1824 -3.4240 8.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 -3.0068 8.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6012 -3.2281 5.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0741 -2.3165 5.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4723 -1.2441 7.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8839 -0.4811 6.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5977 0.5158 5.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2258 -0.0798 4.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3259 -0.4212 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9810 -1.3892 4.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0720 -3.3351 3.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4388 -2.5321 3.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8487 -2.3675 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1124 2.7572 -2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 4.0960 -3.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 1.2228 -3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 2.6905 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 1.5731 -4.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 2.9187 -5.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 1.5310 -6.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 0.0650 -5.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 1.7447 -7.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 0.0720 -7.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.0497 -6.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 0.8909 -5.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -1.0242 -4.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 -1.8845 -6.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -0.9524 -3.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -1.7098 -5.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 -2.8755 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -3.7690 -4.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8534 -2.7097 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4968 -4.4311 -2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3058 -2.5608 -4.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -4.2822 -4.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 -3.3946 -1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 -5.0660 -2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 -3.2702 -3.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9827 -4.7256 -2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -6.1816 -4.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1251 -5.6765 -6.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 -2.7949 -5.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7196 -3.7158 -6.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 -3.7609 -8.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8756 -2.8806 -7.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5988 -1.8732 -8.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 -1.4287 -8.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9332 0.2830 -7.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8845 -0.8773 -5.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5228 0.0864 -7.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 -1.0847 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4196 1.7659 -5.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3466 0.6322 -4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3452 2.1186 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 0.4179 -5.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.4402 -7.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7117 0.9495 -7.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 2.4125 -6.5334 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 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 1 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 2 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 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 6 25108 1 0 25109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 70179 1 0 70180 1 0 71181 1 0 71182 1 0 71183 1 0 M END