HMDB0006111 RDKit 3D 12-HETE 55 54 0 0 0 0 0 0 0 0999 V2000 -7.3530 1.0402 0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5888 0.2212 -0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9951 1.1751 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 0.5692 -2.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0037 -0.1896 -1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 0.6361 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 0.4090 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 -0.7043 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -1.5196 1.4664 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2540 -2.5799 2.2736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 -0.6299 2.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.6055 1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 0.2738 2.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 0.3585 2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -0.3815 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3611 -1.2218 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 -1.0199 0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 0.0328 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 -0.4793 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7193 0.7413 -2.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2756 0.4091 -3.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4799 -0.7932 -3.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 1.3912 -4.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7833 1.9562 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 0.3963 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6556 1.3279 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3474 -0.4596 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8611 -0.3956 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 1.7669 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 1.9732 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 1.3515 -2.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 -0.1849 -2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4587 -0.6176 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3689 -1.0177 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 1.5376 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 1.1100 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 -0.2780 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -1.4337 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 -1.9609 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -2.5559 3.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -0.0092 2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6478 -1.2371 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9468 0.8954 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2017 1.0597 2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 -1.1322 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 0.2210 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 -2.0384 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3811 -1.6921 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 0.8523 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8133 0.5584 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4559 -0.9555 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 -1.2223 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7452 1.2968 -2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3715 1.4371 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1914 2.3176 -4.3519 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 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 6 10 40 1 0 11 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