HMDB0012552 RDKit 3D 12-Oxo-20-hydroxy-leukotriene B4 55 54 0 0 0 0 0 0 0 0999 V2000 -10.3266 0.8298 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1385 0.4504 -1.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3848 -0.1071 -2.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7434 0.6727 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2963 0.2614 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8563 0.4856 1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 -0.0139 1.4103 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9677 0.1850 2.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4375 -1.4161 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3093 -1.9991 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 -1.3588 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9665 -0.8200 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 -0.2237 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 -0.9317 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.5569 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 -1.5052 -0.9672 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.5968 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 0.8573 -1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 0.7200 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4367 0.2872 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5127 1.3000 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 1.4561 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1877 0.2088 -1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0507 -0.4332 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3334 -0.7785 1.0352 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6658 -0.7904 -2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3533 -0.0244 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8776 1.7203 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 0.8594 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1183 -0.7992 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4214 -0.1460 2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8971 1.5353 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8694 0.6224 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8779 1.1658 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3445 -1.9806 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 -3.0581 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 -2.4824 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 0.3085 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 0.7450 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -1.9500 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 1.4900 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 0.5123 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 1.2031 -2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.9467 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9212 0.0514 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -0.7031 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 2.3211 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0427 1.1042 1.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 1.8374 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2544 2.2509 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5066 -0.5530 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8739 0.4941 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 -1.4231 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9972 0.1377 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9016 -1.0767 1.7925 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 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 6 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 25 55 1 0 M END