HMDB0054054 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 171170 0 0 0 0 0 0 0 0999 V2000 0.0264 -2.3301 -10.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -1.7555 -9.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 -2.5183 -8.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 -3.1657 -7.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -3.2841 -6.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 -2.7942 -5.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -1.8515 -4.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 -0.9520 -4.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 -0.9119 -5.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 0.1973 -6.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.3979 -6.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 1.7789 -7.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 2.9379 -7.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 4.0383 -7.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 5.1966 -7.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 5.7262 -5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 5.2195 -4.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 6.3489 -4.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 6.6964 -3.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 5.9965 -2.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 6.9311 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 6.1180 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3626 4.9352 -0.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8785 6.6929 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 5.9441 1.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6204 5.6097 2.8859 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4647 4.7316 3.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 4.4959 5.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7408 3.6014 5.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 3.1247 5.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 3.2060 7.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 1.8059 7.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 1.3330 7.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 -0.1151 7.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 -1.1120 6.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 -0.8822 5.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 -1.3197 5.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 -2.2195 4.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 -2.8766 3.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 -2.5274 1.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 -2.0087 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -1.6141 1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -0.1657 1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 0.7146 2.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 0.3372 3.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 0.8040 3.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2456 0.4954 5.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 -0.9767 5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 -1.1269 6.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6116 4.9845 2.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 5.5245 2.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6156 6.6597 3.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 5.1799 2.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 3.9996 2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 3.7476 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3395 2.6865 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 1.3577 0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 0.5304 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 -0.7981 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 -1.7451 1.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 -3.0531 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6654 -3.7841 1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -4.2008 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -5.1652 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 -5.5290 -1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -6.5255 -1.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 -5.9563 -1.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 -4.7103 -2.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9164 -4.1816 -1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -3.4155 -10.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -1.9204 -11.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 -2.0142 -10.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -1.7603 -8.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7437 -0.6995 -9.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 -2.5270 -9.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -3.7093 -7.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -2.9949 -6.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -4.4278 -6.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 -3.3408 -4.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -1.6955 -3.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 -1.2775 -3.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 0.0734 -4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 -1.7812 -6.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 0.1518 -7.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 2.2532 -5.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0187 1.3660 -5.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 1.0587 -7.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 3.1575 -8.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 3.8115 -7.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 4.3857 -8.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 5.6221 -7.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 6.5658 -5.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8988 4.4814 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5947 4.7246 -4.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 6.9033 -5.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8403 7.5653 -3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 5.5084 -1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 5.1888 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 7.6740 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 7.3253 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 6.4596 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 5.0046 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 6.5834 3.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 3.8433 3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 5.3185 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 3.8636 7.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 3.3874 7.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 1.0396 7.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 1.7230 8.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 1.8962 8.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 1.5687 6.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 -0.3194 8.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 -2.1426 7.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 0.1910 5.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 -1.4186 5.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -0.8897 5.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1313 -2.5239 3.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 -3.9993 3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 -2.7620 3.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 -2.7392 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 -1.8073 0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5703 -1.9611 2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.1268 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 0.2656 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 1.7751 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -0.7231 3.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 0.9323 4.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 1.9382 3.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 0.5332 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 1.1654 6.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 0.7394 5.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 -1.4338 5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9115 -1.4917 4.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9181 -2.1832 7.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -0.7086 6.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 -0.5068 7.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7467 6.0953 2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7031 5.2987 3.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 3.0456 2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8972 4.0903 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4329 3.4480 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 4.7147 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4016 3.0352 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9802 2.5924 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0752 0.7267 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 1.2791 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 1.0407 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 0.3682 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 -0.5386 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -1.2625 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -1.3232 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -1.9883 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6854 -2.9027 3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -3.6915 1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -4.7142 2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6257 -3.2335 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4565 -3.3762 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4462 -4.7817 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 -6.0866 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -4.7174 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -4.6796 -2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 -6.0252 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -7.4449 -1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 -6.7583 -2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 -6.7331 -1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 -5.8890 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 -3.9031 -1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6492 -4.9211 -3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -3.2504 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 -4.0527 -0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -4.8941 -1.6528 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 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 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END