HMDB0010224 RDKit 3D 9-HOTE 51 50 0 0 0 0 0 0 0 0999 V2000 -7.2992 0.4870 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1384 -0.3535 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5642 -1.0703 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -0.9438 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3303 -0.0703 -1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 0.9376 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2621 0.2351 0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 0.4329 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 -0.3053 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -0.1914 2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.9510 4.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7305 0.7191 2.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9448 -0.1071 1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -1.2069 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -0.7962 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1471 0.1321 -1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4451 -0.5724 -1.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 0.2443 -2.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8363 1.4995 -1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 2.2291 -1.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3216 1.9603 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8364 1.2654 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7993 0.9619 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -0.1143 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5456 -1.1006 -2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4978 0.3315 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2216 -1.7558 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 -1.5237 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 0.4531 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -0.7177 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 1.4256 0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 1.7304 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 -0.4717 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 1.1411 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1412 -1.0193 3.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -1.0589 4.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 1.4053 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 1.2955 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 -0.5610 2.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 0.5326 1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 -1.9075 0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 -1.8365 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0626 -1.7558 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 -0.3250 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6581 0.2971 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 1.0517 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -0.9953 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2347 -1.4613 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4117 -0.3884 -2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2196 0.3855 -3.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9536 2.4071 0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 21 51 1 0 M END