Mol:BMCCPUXAp003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 14 0 0 1 0 0 0 0 0999 V2000
4.5685 0.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8364 0.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8364 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 -0.5256 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5685 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 -1.5038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 -0.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4345 -0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 2.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5685 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 6 1 0 0 0 0
5 4 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 5 1 0 0 0 0
4 9 2 0 0 0 0
6 10 2 0 0 0 0
2 11 2 0 0 0 0
8 12 2 0 0 0 0
5 13 1 4 0 0 0
S SKP 7
ID BMCCPUXAp003
NAME 5-Hydroxy-3,7-dihydropurine-2,6,8-trione
CAS_RN 6960-30-1
FORMULA C5H4N4O4
EXACTMASS 184.0232
AVERAGEMASS 184.1098
SMILES O=C(N1)NC(=N2)C(O)(NC(=O)2)C(=O)1
SMILES O=C(N1)NC(=N2)C(O)(NC(=O)2)C(=O)1
M END
