HMDB0004688 RDKit 3D Hepoxilin A3 56 56 0 0 0 0 0 0 0 0999 V2000 -8.8997 1.4870 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5006 1.6957 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0169 0.3201 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6752 0.3679 -1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 0.9805 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 0.2031 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -0.3766 1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 -0.3317 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -1.7697 0.3111 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6782 -2.5762 1.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -2.3310 0.7514 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4759 -1.3677 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -0.6349 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 0.3201 1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.3288 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 0.7500 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -0.3530 -0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 -0.4509 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 0.5514 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 1.2715 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 0.4790 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7459 -0.3616 -2.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 -0.1755 -2.7053 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 -1.3818 -2.6939 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9076 0.5016 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6180 1.4813 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0527 2.3318 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8524 2.1268 0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5942 2.3320 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 -0.3167 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7219 -0.0984 -1.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6698 0.8839 -2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2741 -0.6689 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9439 2.0313 0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 1.1129 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4862 0.1428 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5409 -0.9276 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 0.0703 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 0.3317 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1926 -2.1903 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 -3.1776 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 -1.2410 2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 -0.7237 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 1.2218 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 -1.0572 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 1.6471 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 1.1485 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -1.1887 -0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -1.3697 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5416 1.2653 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 -0.0256 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7385 1.9195 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6821 2.0535 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7391 -0.2052 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 1.2007 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2804 -2.3477 -2.7112 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 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 11 9 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 6 11 41 1 6 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 24 56 1 0 M END