HMDB0060055 RDKit 3D Tetranor 12-HETE 45 44 0 0 0 0 0 0 0 0999 V2000 -6.7974 1.3234 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2506 0.5494 -0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 -0.8021 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 -0.7475 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 0.0423 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 0.0308 1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -0.4610 1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -1.0726 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 -0.2621 -0.5001 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9689 -0.8071 -1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 -0.3860 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8593 -0.3621 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 -0.4786 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2074 -0.4609 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5911 -0.3216 -0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4367 0.9544 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6342 0.8152 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6012 0.1033 -0.4815 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7081 1.4599 1.1012 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9007 1.2512 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3622 1.0816 1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5784 2.4122 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0881 0.3747 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4656 1.0923 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2893 -1.2484 -1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4785 -1.4941 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -1.7911 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9068 -0.3818 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 -0.3002 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 1.0976 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 0.4685 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -0.4115 2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 -1.1203 -0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -2.1362 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 0.7851 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.1013 -2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3957 -0.4920 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 -0.2513 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -0.5862 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 -0.5583 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -0.3264 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -1.1901 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7237 1.1368 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8666 1.8275 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 1.7447 1.5932 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 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 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 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 6 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 19 45 1 0 M END