HMDB0062278 RDKit 3D 11,12,15-trihydroxyeicosatrienoic acid 59 58 0 0 0 0 0 0 0 0999 V2000 8.4663 0.7169 2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8319 0.5129 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 -0.5087 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9994 -0.8252 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3231 0.3234 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 0.9973 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 1.5061 0.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 0.1324 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 -0.5226 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 -1.3894 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -2.5307 -1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.7239 -0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -1.5646 -0.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 0.5321 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 1.0678 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 1.2013 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 1.7377 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9376 0.6474 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6272 0.1152 -0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6445 -0.9354 -0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0153 -1.3866 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7288 -0.2959 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9984 0.0577 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9370 -0.7624 0.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1586 1.2214 -0.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3593 1.3669 1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7136 -0.3234 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6934 1.0900 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4814 1.4567 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6004 0.0618 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 -1.4581 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -0.2793 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -1.6689 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 -1.2272 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 1.0884 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 -0.0325 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 1.8789 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 2.3077 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 0.0095 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 -0.3978 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -1.7026 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -2.2348 -2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -0.4745 -1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8589 -1.4255 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 0.1976 0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5563 1.2492 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 1.3395 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 0.9150 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1366 2.6400 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 1.9470 -1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0477 0.3024 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3893 0.5287 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2803 -1.8125 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 -0.5837 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1317 -1.7624 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6917 -2.2930 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1787 0.6435 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9763 -0.6125 2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6114 1.1987 -1.0723 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 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 3 16 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 2 0 23 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 25 59 1 0 M END