HMDB0054114 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -7.0910 5.0674 3.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3558 4.1461 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2938 2.6883 2.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9449 2.3397 3.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8182 0.8674 3.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8218 0.6066 4.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4715 0.2088 6.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0801 -0.0324 6.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0328 -1.4615 7.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 -2.3047 6.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2711 -1.9980 5.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -2.8634 4.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.7416 3.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -3.9212 4.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 -5.3161 4.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 -6.2266 4.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 -6.0400 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -7.0451 2.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 -7.9678 2.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3853 -8.0720 2.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 -7.9789 2.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7946 -6.7822 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -5.6473 1.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -6.8355 -0.1205 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 -5.9248 -1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 -4.6806 -1.1273 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2799 -4.0040 -2.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 -2.9541 -2.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4562 -2.2418 -3.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 -2.5760 -4.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -1.1516 -4.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -0.6458 -5.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 0.4360 -6.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6078 0.8294 -7.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 2.0440 -7.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 3.1801 -6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 3.7505 -6.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 3.9043 -5.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 3.5170 -4.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 4.7896 -3.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 5.0790 -2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 4.0927 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2123 4.6677 -1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 4.9516 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 4.7292 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 3.7660 2.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 2.3767 1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1313 1.4715 2.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 1.4562 3.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -3.7739 -0.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -3.1013 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 -3.2757 0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -2.1451 1.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 -1.0212 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -0.1682 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 0.5388 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 1.3331 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2178 2.1070 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 2.8420 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 3.7136 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 3.1233 -0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2972 2.4591 0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 1.1929 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 0.2804 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4094 -0.2373 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 -1.1322 -1.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -2.2981 -1.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0681 -3.2205 -2.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9387 -2.5467 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 4.9537 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1999 6.1222 3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7407 4.8298 4.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5454 4.2992 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3692 4.3432 2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1261 2.4316 3.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4456 2.1010 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7516 2.9833 4.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1238 2.5665 2.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0897 0.2943 2.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7943 0.6289 4.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9080 0.7496 4.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2893 0.0349 6.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2934 0.3330 6.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0331 0.6129 7.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7446 -1.7636 7.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 -3.3425 6.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 -0.9180 5.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2751 -2.1099 5.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 -2.7174 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1369 -4.3434 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -3.7381 3.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -3.2917 5.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 -5.5463 5.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -7.2232 4.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 -6.0566 3.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -5.0526 2.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -6.9760 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 -8.7228 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 -9.1911 3.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -7.5621 3.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6349 -8.8781 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5062 -8.1041 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -6.4665 -2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -5.6652 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -4.9621 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2987 -4.7384 -3.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 -3.4989 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5474 -1.5464 -4.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -0.3131 -3.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 -0.0744 -5.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 -1.4391 -6.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 1.1715 -5.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1041 -0.1090 -6.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 0.0321 -8.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3473 2.3090 -8.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 4.0109 -7.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1623 3.0660 -6.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7838 4.0714 -7.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 4.3246 -5.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 3.1071 -4.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 2.7733 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2276 5.5877 -4.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 6.0630 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0964 3.1304 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 3.9351 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9149 4.8818 -2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 5.3652 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 5.7461 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 4.5342 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 4.1319 2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 3.7348 3.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 1.9211 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 2.3447 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0728 1.8340 3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 0.4509 2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 2.3029 4.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 0.5084 4.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0662 1.6803 3.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 -2.7373 2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 -1.8158 2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 -1.4516 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 -0.3412 2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4839 -0.8557 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 0.5669 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 1.2359 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -0.0970 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 2.0418 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 0.5859 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 2.8625 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 1.4379 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1976 3.4537 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 2.0834 -2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 4.1749 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 4.6352 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 4.0338 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 2.5534 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0725 3.0129 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 0.8100 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -0.6382 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6889 0.6044 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1483 0.5920 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -0.8675 0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 -0.5008 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7832 -1.4397 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 -2.9160 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 -1.9609 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0727 -3.6320 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 -4.0141 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -2.4080 -4.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4512 -3.2237 -4.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4553 -1.5789 -4.1950 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 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 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 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