HMDB0012567 RDKit 3D 13-HETE 55 54 0 0 0 0 0 0 0 0999 V2000 -5.3358 -3.0728 -1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9661 -1.7888 -2.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1504 -0.8790 -1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 -0.5152 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 0.4018 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 -0.3849 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 -0.0488 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 1.1714 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 1.2373 -0.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 2.3989 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2185 2.7238 1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 1.9563 2.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 2.7607 2.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 2.4715 2.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 1.2283 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 1.5334 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.1009 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 0.2924 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4832 -1.0224 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -1.7321 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -2.9841 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 -3.7895 -1.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8372 -3.3292 -1.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6218 -3.8029 -2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1683 -2.9643 -1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 -3.5189 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 -1.9945 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 -1.2722 -2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -1.3349 -1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9602 0.0615 -2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1505 -1.3807 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8057 0.0978 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5079 0.6623 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8019 1.2705 -0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 -1.3322 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 -0.7126 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 1.0974 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 0.4023 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 3.1075 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 3.6712 1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 1.8660 3.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 0.9738 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 3.7332 3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0366 3.1744 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 0.5120 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6018 0.6794 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 2.1397 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 1.3617 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 0.7320 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 0.0955 1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1898 -1.6606 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9697 -0.7441 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -1.1142 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -1.9201 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4574 -2.7641 -1.8784 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 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 23 55 1 0 M END