HMDB0001193 RDKit 3D 5(S)-Hydroperoxyeicosatetraenoic acid 56 55 0 0 0 0 0 0 0 0999 V2000 -8.5095 0.5801 1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4083 -0.3590 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1929 -0.0210 1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9888 -0.8512 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 -0.7172 -0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1652 0.6836 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 1.1152 -1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.2162 -1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 0.2065 -2.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 0.5720 -2.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 1.0800 -2.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.3116 -0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 0.7322 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -0.2648 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 -0.8133 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 -1.8332 0.8405 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6422 -1.1400 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -0.0457 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 0.7283 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2499 1.4109 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5283 1.3992 2.2661 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4373 2.1454 1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 -2.3607 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -3.6802 -0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2771 1.6030 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4924 0.3032 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5679 0.5018 2.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -0.1541 -0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7838 -1.3856 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5189 -0.1324 2.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0131 1.0682 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1904 -0.5404 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2323 -1.9215 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 -1.4985 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4611 -0.9234 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 1.4810 -0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 2.1944 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 0.2325 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -0.8697 -1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -0.1599 -3.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 0.4704 -4.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 2.0283 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 0.3728 -2.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 2.0800 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 1.0390 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -0.5727 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9549 -0.4701 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 -2.6463 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 -0.7390 2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4671 -1.8673 0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 -0.5098 -1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 0.6461 0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9404 1.4549 -0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8433 0.0221 -0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7053 2.8045 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6181 -4.0064 0.3319 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 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 16 23 1 0 23 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 1 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 22 55 1 0 24 56 1 0 M END