HMDB0010201 RDKit 3D 12,13-DiHODE 54 53 0 0 0 0 0 0 0 0999 V2000 -7.6520 -1.0775 -1.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8212 -0.9313 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -2.0981 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -2.1330 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6403 -1.1825 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7387 0.2627 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 1.0412 0.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4295 0.8707 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 2.0235 -1.7031 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 1.4755 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 0.5389 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 0.1901 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 0.7134 0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1772 1.4566 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 1.9933 0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.9670 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -0.0062 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5457 -1.0857 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7344 -0.5843 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4857 -1.7266 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0546 -2.8863 -0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6498 -1.5962 -1.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9863 -0.0668 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4741 -1.7852 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9843 -1.4577 -2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 0.0209 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6183 -1.0098 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -3.0953 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 -3.2186 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 -1.5097 -1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -1.3857 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3911 0.4148 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6744 0.5778 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 0.2099 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9815 2.1580 -2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1453 2.3702 0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 1.9895 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 0.1180 1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 -0.5463 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.3174 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -0.2102 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 0.7482 2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5969 2.2524 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 2.6115 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 2.7372 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 0.4157 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 1.3995 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 -0.5291 1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 0.4982 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9131 -1.7753 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 -1.7100 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4444 -0.0555 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5009 0.1583 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3716 -1.0026 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 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 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 22 54 1 0 M END