HMDB0012641 RDKit 3D 20-oxo-leukotriene B4 55 54 0 0 0 0 0 0 0 0999 V2000 5.0544 1.2672 2.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 1.6783 2.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 1.4009 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -0.0207 0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0411 -0.3784 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 -0.3599 -1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8822 -1.3349 -0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -1.0916 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 0.2147 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 0.1492 -1.5744 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2068 -0.2513 -2.8336 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 -0.9056 -1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4075 -0.7043 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -1.7514 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -1.4964 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 -2.5332 0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6985 -2.2272 0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1767 -0.8507 0.8427 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4687 0.0885 1.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5778 -0.4099 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0421 1.0091 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2330 1.2234 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6072 2.6702 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5961 3.0331 1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 3.6131 -0.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 2.2565 2.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1222 2.0427 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 1.5866 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 -0.7392 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7373 -0.1463 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7727 0.3132 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 -1.3960 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 -0.7028 -2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 0.6422 -1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -2.3906 -0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 -1.9496 -0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.6053 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 0.9678 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 1.1473 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 0.4829 -3.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -1.9183 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 0.3079 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -2.7886 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8614 -0.4663 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 -3.5881 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3371 -3.0669 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1841 -0.8662 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 0.0689 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8149 -0.5171 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 -1.1086 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.6477 -0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3587 1.2938 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1111 0.6581 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8926 1.0355 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 4.5562 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 6 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 1 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 25 55 1 0 M END