HMDB0004706 RDKit 3D 8(R)-Hydroperoxylinoleic acid 54 53 0 0 0 0 0 0 0 0999 V2000 -8.1428 -0.5854 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0636 0.3956 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2111 -0.3572 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 0.4564 1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 0.9430 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 1.7382 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8129 1.3904 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 0.1346 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 0.4101 -1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5543 -0.1073 -1.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -0.9835 -0.5801 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0264 -0.2630 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 0.6639 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -0.0649 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8323 -1.1207 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6854 -0.7216 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8609 0.1034 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 1.4088 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 2.2780 0.5155 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 1.7487 -1.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 -2.0490 -0.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 -3.1999 -0.4642 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9738 -0.0022 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6752 -1.2897 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4157 -1.1893 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.6904 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5107 1.2795 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 -1.2245 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7961 -0.8201 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5864 1.3295 1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5466 -0.0784 2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 0.1968 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8502 1.7093 -0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2189 2.6926 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 2.0528 0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2605 -0.5516 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -0.4074 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 1.0494 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 0.1685 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -1.5279 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 -0.9384 1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 0.4164 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 1.3554 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 1.2795 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 0.6570 -1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -0.5360 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 -1.9347 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 -1.6495 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 -0.2812 1.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -1.6900 1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5508 -0.5538 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4671 0.2692 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7278 0.9678 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5572 -3.6577 0.1410 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 11 21 1 0 21 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 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 6 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 20 53 1 0 22 54 1 0 M END