HMDB0244667 RDKit 3D 15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid 56 55 0 0 0 0 0 0 0 0999 V2000 -8.4389 0.0316 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3616 -0.9852 -0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0426 -1.2820 0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5812 -0.1184 1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 0.5946 1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 -0.2176 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 0.6548 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 0.2282 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 1.1587 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2092 0.8458 -1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1211 1.9433 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 1.8571 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5924 1.8079 -1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 1.7573 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5973 0.5293 -1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 -0.3624 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -1.6000 -0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2757 -1.5296 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 -0.2967 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 -0.3385 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5475 -0.0955 -0.6681 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4721 -0.6669 1.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 -0.8947 2.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -2.2135 2.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3664 -0.4955 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1682 0.6753 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6883 0.6332 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6737 -1.9672 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4544 -0.6958 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9402 -1.6957 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3123 -2.1296 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4389 -0.4251 2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4285 0.6402 1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 1.4177 1.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 1.1222 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 -1.0121 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 1.7465 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 -0.8224 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 2.2224 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4653 -0.1862 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 2.9240 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 2.0549 -2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 1.8293 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8376 1.8054 -2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 1.9152 -3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 2.6229 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 0.4246 -2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 -0.3235 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 -2.4739 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 -1.6532 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7733 -2.4574 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2832 -1.4507 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.6249 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1477 -0.1414 2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6707 -0.0282 2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -2.6294 2.8487 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 1 0 7 8 2 3 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 6 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 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 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