HMDB0060876 RDKit 3D Thioxanthine monophosphate 21 22 0 0 0 0 0 0 0 0999 V2000 -3.1946 1.8918 0.9934 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 0.4920 0.4230 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7859 0.6230 -1.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3119 -0.4093 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 -0.2716 0.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 0.3403 0.2916 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 1.6571 0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 1.8814 0.1036 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 0.7024 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 0.3518 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1842 1.6119 -0.6380 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 -0.9623 -0.6772 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -1.9109 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 -3.2703 -0.7745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 -1.5430 -0.2458 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6383 -0.2675 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7979 -0.3170 -1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 -1.3639 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 2.4750 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 2.2476 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 -3.9586 -0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 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 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 6 1 0 16 9 1 0 3 17 1 0 4 18 1 0 7 19 1 0 11 20 1 0 14 21 1 0 M END