HMDB0011135 RDKit 3D 5-HPETE 56 55 0 0 0 0 0 0 0 0999 V2000 -7.1690 0.5536 -2.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3822 0.7703 -1.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1194 1.1564 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1306 0.0288 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 0.3297 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 0.5049 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5598 -0.1943 2.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 -1.3342 2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 -1.9405 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -2.0108 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1496 -1.4351 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -2.4319 1.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 -2.3147 1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 -1.2533 0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 -1.2320 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8568 -0.1503 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 1.1927 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 2.3050 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4939 2.5648 -0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4502 1.5727 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1657 0.9671 -0.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6538 1.2244 -2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3444 -0.3249 -1.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 -0.6995 -2.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1020 0.7801 -3.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3109 1.1397 -3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9023 -0.5219 -3.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1586 1.5658 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7837 -0.1370 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3657 1.3268 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 2.1061 -1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4788 -0.9207 -0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9535 -0.0862 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 -0.4080 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 1.3534 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7252 1.3509 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 0.1312 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -2.1370 2.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -1.1016 2.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -2.4474 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 -2.5092 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 -0.8705 2.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 -0.6393 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -3.2944 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0663 -3.1222 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 -0.4580 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 -2.0146 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 -0.2747 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 1.2904 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 1.3042 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 3.2668 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 2.2273 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6412 3.5264 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8163 2.9054 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8677 0.2606 -2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -1.4411 -2.2287 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 16 23 1 0 23 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 13 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 18 52 1 0 19 53 1 0 19 54 1 0 22 55 1 0 24 56 1 0 M END