HMDB0012642 RDKit 3D 20-Oxo-leukotriene E4 66 65 0 0 0 0 0 0 0 0999 V2000 -1.3830 0.2512 -2.3135 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0221 -0.6720 -3.2269 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2365 -2.0185 -2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 -1.9845 -1.1292 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -1.1183 0.2333 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2967 -1.8289 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -1.1798 1.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -1.9050 1.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 -1.2712 1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -2.0145 2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 -1.5184 2.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 -0.1352 2.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8084 0.9659 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 1.8498 1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 1.8868 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 1.7629 -0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 1.8000 -1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 1.6819 -3.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 2.7775 -3.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0663 3.6674 -2.8067 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -0.9211 1.4002 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7846 -0.2409 2.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7123 -0.1864 0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5717 -0.0509 2.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8666 0.6722 1.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6659 -0.0431 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4158 0.0954 -0.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6932 -0.8676 1.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -0.8655 -4.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.2870 -4.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 -1.7296 -5.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7209 1.2382 -2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 0.2408 -2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 -0.2459 -3.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 -2.7807 -3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 -2.3577 -2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 -0.1264 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -2.9074 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1727 -0.1118 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -2.9784 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 -0.2083 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -3.1214 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -2.2637 3.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1949 0.0591 3.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 -0.0352 2.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 1.1309 3.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 2.6414 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 2.9109 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 1.1324 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 2.5665 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 0.8078 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3325 0.9244 -1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2364 2.7470 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7685 0.7027 -3.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 1.7581 -3.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0229 2.7325 -4.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7686 -1.9083 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 -0.8388 2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -0.7583 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 0.7954 0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8317 -1.0733 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 0.4613 3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4344 0.6757 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7053 1.7318 1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9099 -1.0284 2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 -1.4540 -6.2246 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 2 0 9 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 5 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 2 29 1 0 29 30 2 0 29 31 1 0 1 32 1 0 1 33 1 0 2 34 1 6 3 35 1 0 3 36 1 0 5 37 1 6 6 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 21 57 1 1 22 58 1 0 23 59 1 0 23 60 1 0 24 61 1 0 24 62 1 0 25 63 1 0 25 64 1 0 28 65 1 0 31 66 1 0 M END