HMDB0012606 RDKit 3D 18,20-Dioxo-20-CoA-leukotriene B4 136138 0 0 0 0 0 0 0 0999 V2000 4.5659 -0.9180 -1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 -0.5791 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 -1.8641 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 0.3785 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -0.2358 0.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 0.7926 0.7709 P 0 0 0 0 0 5 0 0 0 0 0 0 8.9095 1.0143 -0.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 2.2837 1.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6554 0.2186 2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4478 -1.2496 1.9097 P 0 0 0 0 0 5 0 0 0 0 0 0 8.9478 -2.2348 2.9258 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 -1.8353 0.3432 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1190 -1.0703 2.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8204 -1.7270 1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3094 -1.5535 1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5898 -0.2100 1.3306 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3428 0.0610 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1949 1.1892 0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0610 2.1349 1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0391 3.0516 1.1795 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8116 2.7043 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9189 3.2269 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4912 4.4337 0.0602 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4951 2.6226 -1.4999 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9682 1.4719 -1.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8805 0.9704 -1.4023 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2680 1.5247 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1194 -1.2258 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1609 -1.3039 0.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0386 -2.2422 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 -3.4826 0.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9339 -4.7193 -0.4214 P 0 0 0 0 0 5 0 0 0 0 0 0 13.9438 -6.0623 0.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3941 -4.3566 -1.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9694 -4.8641 -1.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 0.1224 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9372 0.3879 1.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 -0.7074 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.2164 0.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5078 -0.9456 -1.5573 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -1.7582 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 -1.1086 -1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.2479 -1.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 0.7523 -2.6404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 1.0078 -1.5328 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 2.3123 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 3.0949 -1.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 3.2677 -0.0156 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8029 1.8809 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 1.5734 1.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6570 1.0686 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3371 -0.0100 0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1749 -0.0479 1.7293 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1845 -1.0084 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6422 -0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8214 0.7120 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 1.7831 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6475 1.8922 1.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1291 2.3200 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5736 2.4371 2.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8858 1.3161 0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1914 1.3655 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9978 2.4136 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2999 2.4884 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1001 1.5342 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4040 1.6317 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2610 0.6845 -0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4977 1.2047 -1.9285 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6538 -0.6718 -0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4105 -1.3114 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7874 -2.6822 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5438 -3.3179 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8218 -2.7747 2.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.9693 -4.5950 1.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6515 -1.1883 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 -1.7764 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -0.0023 -2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -2.1926 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 -1.7028 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 -2.6164 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 0.6133 1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 1.3350 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9169 2.7693 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -2.4529 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5639 -1.2311 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5222 -2.7868 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5860 -1.9346 2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6257 0.1617 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3040 2.1994 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9225 5.0956 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4544 4.5993 1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3980 0.9552 -2.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4181 -1.2746 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8904 -1.7746 1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3514 -2.3198 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8404 -5.1709 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6740 -5.6027 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 1.0635 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -0.4353 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 -0.5234 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 -2.7464 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2166 -1.8444 -2.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 -1.7580 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 -1.0921 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9338 0.5696 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 2.8631 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2442 2.2776 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 2.6634 -2.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 4.1329 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4473 1.7826 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 0.5690 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0677 -2.0189 0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8927 -1.0423 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8955 -0.5975 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2632 -1.3495 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5759 0.8299 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3350 2.6978 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0364 2.7094 1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5340 0.9532 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1430 3.3051 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4753 3.3600 3.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3298 0.4956 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6418 0.5687 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4832 3.1871 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8189 3.3172 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6091 0.7146 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8615 2.4879 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2399 0.6159 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8296 2.1319 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6934 -0.6587 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3259 -1.3353 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7562 -0.6993 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3843 -1.4535 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5138 -3.2643 -0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8227 -2.5731 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1201 -4.7004 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 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 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 3 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 61 62 2 3 62 63 1 0 63 64 2 3 64 65 1 0 65 66 2 3 66 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 2 0 72 74 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 75 1 0 1 76 1 0 1 77 1 0 3 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 8 83 1 0 12 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 17 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 25 92 1 0 28 93 1 0 29 94 1 0 30 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 45105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 51110 1 0 51111 1 0 54112 1 0 54113 1 0 55114 1 0 55115 1 0 56116 1 0 57117 1 0 58118 1 0 58119 1 0 59120 1 0 60121 1 0 61122 1 0 62123 1 0 63124 1 0 64125 1 0 65126 1 0 66127 1 0 67128 1 0 68129 1 0 69130 1 0 69131 1 0 70132 1 0 70133 1 0 71134 1 0 71135 1 0 74136 1 0 M END