HMDB0012553 RDKit 3D 12-Oxo-20-trihydroxy-leukotriene B4 57 56 0 0 0 0 0 0 0 0999 V2000 8.9391 1.5458 -0.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4568 0.4571 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 -0.5240 0.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.1952 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 1.3813 -1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 1.3500 -1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 0.3676 -2.2993 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1019 0.6614 -3.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -1.0232 -1.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -1.7005 -1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 -1.1145 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.7722 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 -1.0953 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 -1.7054 1.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9762 -1.0360 2.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 -1.6697 3.2483 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2825 0.3879 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 0.8901 2.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5321 1.3175 2.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 1.3341 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8349 0.4361 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1271 0.9205 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2894 0.0679 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5227 -0.0032 -0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7472 1.2687 -1.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7308 -0.7664 -1.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5383 -0.6332 -1.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1198 -0.8555 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 0.0553 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -0.7391 -0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9472 1.5805 -1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 2.2539 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 1.3181 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6321 2.3963 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 0.4962 -2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -0.0428 -4.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 -1.5461 -2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2689 -2.7475 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -0.0997 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 -2.7923 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -0.0733 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -2.7292 2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3997 0.9576 2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 0.5628 1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 0.9097 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3975 1.7008 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9773 2.3881 0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 1.1081 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6501 -0.6170 0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 0.4720 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 0.9494 1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2982 1.9906 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2352 0.4574 0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0956 -0.9636 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5537 1.6209 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4766 -1.7129 -0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8608 -1.3680 -2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 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 6 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 23 53 1 0 23 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 M END