Mol:BMCCPUXAp003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 14 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | 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 | + | 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 0.9744 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 2.5000 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 4 9 2 0 0 0 0 | + | 4 9 2 0 0 0 0 |
| − | 6 10 2 0 0 0 0 | + | 6 10 2 0 0 0 0 |
| − | 2 11 2 0 0 0 0 | + | 2 11 2 0 0 0 0 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 5 13 1 4 0 0 0 | + | 5 13 1 4 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | ID BMCCPUXAp003 | + | ID BMCCPUXAp003 |
| − | NAME 5-Hydroxy | + | NAME 5-Hydroxy-3,7-dihydropurine-2,6,8-trione |
| − | FORMULA C5H4N4O4 | + | CAS_RN 6960-30-1 |
| − | EXACTMASS 184.0232 | + | FORMULA C5H4N4O4 |
| − | AVERAGEMASS 184.1098 | + | EXACTMASS 184.0232 |
| − | SMILES O=C(N1)NC(=N2)C(O)(NC(=O)2)C(=O)1 | + | 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 | M END | ||
| − | |||
Latest revision as of 12:50, 16 June 2010
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
