HMDB0060864 RDKit 3D Phenytoin arene-oxide 32 35 0 0 0 0 0 0 0 0999 V2000 0.0008 -3.2556 -2.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1309 -2.6481 -1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -3.1085 -0.3477 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 -2.0810 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1682 -2.3086 1.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3304 -0.8514 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -0.1089 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 1.1517 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2688 1.9609 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 2.2502 -1.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4268 1.2727 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 -0.1329 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 -0.7601 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 0.0418 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 0.6480 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 1.4997 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 1.7443 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3996 1.1378 2.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 0.2996 1.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 -1.3434 -1.4992 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6908 -4.0523 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 1.6483 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 2.7299 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 1.5563 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 -0.6502 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -1.8071 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 0.5351 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 1.9715 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 2.4115 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 1.3175 3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 -0.1596 2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2461 -0.9090 -2.2555 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 1 0 10 11 1 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 2 1 0 13 7 1 0 19 14 1 0 11 9 1 0 3 21 1 0 8 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 18 30 1 0 19 31 1 0 20 32 1 0 M END