HMDB0060868 RDKit 3D Phenytoin quinone 31 33 0 0 0 0 0 0 0 0999 V2000 -0.1932 4.3318 0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 3.1283 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 2.7772 -1.5325 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1114 1.3691 -1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.7275 -2.6963 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 0.7804 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 -0.0945 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 0.2333 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 -0.5810 1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -0.2357 2.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -1.8120 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4786 -2.5600 0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 -2.1343 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4754 -1.3171 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 0.0251 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 0.1254 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -0.5479 1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 -1.3303 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -1.3897 -0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 -0.7274 -1.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 1.9581 0.6134 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1326 3.3999 -2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9793 1.1343 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 -3.0433 -1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 -1.6541 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 0.7194 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 -0.5255 2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -1.8693 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3098 -1.9907 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -0.8460 -2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 1.9491 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 6 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 6 21 1 0 21 2 1 0 14 7 1 0 20 15 1 0 3 22 1 0 8 23 1 0 13 24 1 0 14 25 1 0 16 26 1 0 17 27 1 0 18 28 1 0 19 29 1 0 20 30 1 0 21 31 1 0 M END