HMDB0003876 RDKit 3D 15-HETE 55 54 0 0 0 0 0 0 0 0999 V2000 7.9075 0.5885 -2.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1007 0.2727 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3553 1.5133 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 1.1824 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 0.0917 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 0.4038 -0.5712 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8085 1.5162 -0.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 -0.7881 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 -0.9126 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -2.0916 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -2.3648 -0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 -1.4295 0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -2.0785 1.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 -2.1900 2.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -1.7790 1.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -1.1600 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5119 0.0628 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 0.9755 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4717 1.3826 1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9704 2.0271 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0029 1.0963 -1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9314 -0.1415 -1.1662 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1147 1.6027 -2.6683 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2436 0.6557 -3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 1.5435 -2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6033 -0.2560 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 -0.5682 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -0.0012 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 2.3188 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 1.9202 -1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 0.8589 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 2.0678 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 -0.0557 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 -0.9053 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 0.7097 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 1.6226 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -1.5632 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 -0.0974 0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1876 -2.8347 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 -3.2930 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 -0.7232 1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 -0.7103 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 -2.4732 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 -2.7029 3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -1.1230 2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7129 -2.6937 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 -1.7206 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 0.3678 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7165 0.7566 2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 1.9829 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6518 2.1436 1.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1642 0.4985 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0329 2.3351 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3635 2.9448 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3565 0.9457 -3.3941 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 6 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 23 55 1 0 M END