Mol:BMCCPUXA0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 1 0 0 0 0 0999 V2000 | + | 20 22 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15 19 1 6 0 0 0 | + | 15 19 1 6 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 12 19 1 6 0 0 0 | + | 12 19 1 6 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 14 18 1 1 0 0 0 | + | 14 18 1 1 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 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 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 2 10 2 0 0 0 0 | + | 2 10 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUXA0022 | + | ID BMCCPUXA0022 |
| − | NAME Xanthosine | + | NAME Xanthosine |
| − | FORMULA C10H12N4O6 | + | FORMULA C10H12N4O6 |
| − | EXACTMASS 284.0756 | + | EXACTMASS 284.0756 |
| − | AVERAGEMASS 284.2256 | + | AVERAGEMASS 284.2256 |
| − | SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N2)c(n3)C(=O)NC(=O)2 | + | SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N2)c(n3)C(=O)NC(=O)2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01762 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01762 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 1 0 0 0 0 0999 V2000
3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15 19 1 6 0 0 0
15 14 1 0 0 0 0
12 19 1 6 0 0 0
14 13 1 0 0 0 0
12 13 1 0 0 0 0
12 9 1 0 0 0 0
13 17 1 1 0 0 0
14 18 1 1 0 0 0
15 16 1 0 0 0 0
16 20 1 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 2 0 0 0 0
4 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 5 1 0 0 0 0
6 11 2 0 0 0 0
2 10 2 0 0 0 0
S SKP 7
ID BMCCPUXA0022
NAME Xanthosine
FORMULA C10H12N4O6
EXACTMASS 284.0756
AVERAGEMASS 284.2256
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N2)c(n3)C(=O)NC(=O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01762
M END
