HMDB0004690 RDKit 3D Hepoxilin B3 56 56 0 0 0 0 0 0 0 0999 V2000 7.4255 -2.0368 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4928 -0.6669 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 0.1265 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 -0.5757 -0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7992 0.2775 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 0.4870 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.1405 1.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 -0.5527 1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0658 0.2092 1.4723 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0879 -0.4451 0.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.8177 0.4202 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3216 0.8868 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 2.1690 -1.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 0.2304 -1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 0.6608 -2.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 1.8872 -1.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1851 1.9827 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 1.0889 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8233 -0.3563 -0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -0.9742 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9574 -0.6718 1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1621 -1.2406 0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3889 -2.4714 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0204 -0.4680 0.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.9794 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 -2.5310 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6257 -2.6753 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 -0.7496 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 -0.1393 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 0.2497 1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3188 1.1044 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -0.6093 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -1.6098 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 -0.0527 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0803 1.2902 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3349 1.0092 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 0.3624 3.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 -0.8755 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2298 -1.5135 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 0.5298 2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 1.6857 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6549 0.3054 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 2.7763 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 -0.7329 -2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 0.0272 -3.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 2.5354 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 2.4772 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 3.0443 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 1.4229 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -0.7427 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8003 -0.7625 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 -0.5460 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -2.0648 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8548 -1.2481 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0769 0.3700 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3585 -0.8623 -0.8229 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 1 0 12 14 1 0 14 15 2 0 15 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 1 11 41 1 1 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