HMDB0012598 RDKit 3D 17-HETE 55 54 0 0 0 0 0 0 0 0999 V2000 -6.8292 -2.5000 -1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9737 -1.6422 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1424 -0.2044 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3447 0.7521 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7584 0.6575 1.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8535 0.4890 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 1.4748 0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 2.3182 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 2.4537 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 2.2359 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 1.8270 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 1.4626 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 0.0149 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 -0.3753 1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.5395 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2794 0.7400 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0251 0.2431 0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 -0.7153 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 -1.9954 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7957 -1.8530 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2488 -1.4115 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4656 -1.0929 -1.7354 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -1.3157 -2.6085 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8143 -2.0038 -2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8625 -2.6020 -0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3471 -3.4965 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4103 -1.7776 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9358 -1.9670 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2153 0.0686 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9172 -0.0651 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 1.7774 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5319 -0.2449 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6899 -0.5148 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4657 0.3450 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 1.4768 1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 3.0537 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 1.8943 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 3.5484 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 2.4743 -2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 1.7229 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 2.0565 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3213 1.6170 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -0.7067 0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -1.4924 1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 1.4793 2.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9359 0.0390 3.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 1.4698 2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 0.5505 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 -0.3117 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4963 -0.8161 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 -2.4324 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9414 -2.7454 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3442 -2.8223 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.1498 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3153 -0.5281 -3.2212 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 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