HMDB0012639 RDKit 3D 20-Hydroxy-leukotriene E4 68 67 0 0 0 0 0 0 0 0999 V2000 -3.5768 -3.5060 0.2079 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2534 -2.1813 0.1287 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1513 -1.6728 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8653 -0.0852 -1.5964 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 1.3300 -0.9393 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6752 1.5124 -1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5552 0.9383 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 1.1785 -1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 0.5997 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 0.8207 -1.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2373 0.3118 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -0.6049 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -0.0909 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2952 -0.7137 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 -2.0103 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 -1.8874 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 -1.4767 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 -1.3874 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4427 -0.3855 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7341 -0.4086 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 1.5400 0.5266 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2691 2.7067 0.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3878 1.8533 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0179 3.0957 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3621 3.3352 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3202 2.2425 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4751 2.2271 1.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0930 1.1735 0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6731 -2.5072 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0048 -3.6261 0.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6471 -1.5413 0.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2169 -4.1725 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -3.4768 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 -1.5789 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 -1.7815 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 -2.4331 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6045 2.2391 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 2.1453 -2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 0.3007 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1935 1.8173 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 -0.0386 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 1.4962 -2.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 0.5527 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -0.6013 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.6381 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9774 0.8812 1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 -0.2712 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 -2.4190 -0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 -2.8025 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 -1.0350 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3965 -2.8272 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1914 -2.2608 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -0.4998 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 -1.1437 0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7512 -2.3804 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2549 0.6395 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7674 -0.6958 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0179 0.5364 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 0.7038 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7112 2.5023 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1895 2.0513 2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0223 0.9594 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3385 3.9568 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2105 3.0961 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7857 4.2632 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 3.4871 2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1115 1.2552 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2768 -1.6076 -0.4563 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 1 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 1 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 19 57 1 0 20 58 1 0 21 59 1 1 22 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 28 67 1 0 31 68 1 0 M END