HMDB0010222 RDKit 3D 9-HETE 55 54 0 0 0 0 0 0 0 0999 V2000 -7.9513 1.3409 -2.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8484 0.3835 -1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0514 1.0337 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6552 1.4050 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 0.1733 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7509 -0.8062 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -1.2379 0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 -0.7693 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6368 -0.1565 1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.6631 2.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1973 -1.8192 1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 -1.4407 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 -2.5535 0.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 -0.9209 2.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 -0.2277 1.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8886 -0.0094 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 0.6979 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 0.9383 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8653 0.3503 -1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8846 0.9402 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1885 0.2857 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 -0.6030 -1.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 0.6174 0.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5344 2.2300 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 1.6892 -2.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4947 0.8898 -3.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4725 -0.6044 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8938 0.2684 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9562 0.3658 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5897 1.9460 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 1.8184 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 2.1830 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9224 0.4595 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4689 -0.3664 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 -1.2525 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 -1.9877 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 -1.4949 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 0.1350 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 0.7221 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -0.1152 2.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -2.3579 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 -2.6005 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 -0.7102 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -3.2150 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -1.1231 3.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 0.1557 2.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3848 -0.3683 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5523 1.0791 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 0.4352 -1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 2.0134 -1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.7396 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1664 0.5877 -2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6337 0.6919 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 2.0254 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4782 0.2813 1.0767 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 13 44 1 0 14 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