Mol:BMCCPUXA0021
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 12 0 0 0 0 0 0 0 0999 V2000 | + | 11 12 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0000 1.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 1.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3276 -0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3276 -0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9920 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9920 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1716 -1.1854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1716 -1.1854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4290 1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4290 1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4290 1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4290 1.2716 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 |
| − | 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 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUXA0021 | + | ID BMCCPUXA0021 |
| − | NAME Xanthine | + | NAME Xanthine |
| − | FORMULA C5H4N4O2 | + | FORMULA C5H4N4O2 |
| − | EXACTMASS 152.0334 | + | EXACTMASS 152.0334 |
| − | AVERAGEMASS 152.111 | + | AVERAGEMASS 152.111 |
| − | SMILES O=C(N1)Nc(n2)c(nc2)C(=O)1 | + | SMILES O=C(N1)Nc(n2)c(nc2)C(=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00385 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00385 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 12 0 0 0 0 0 0 0 0999 V2000
0.0000 1.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3276 -0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 -1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1716 -1.1854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4290 1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 1.2716 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
6 11 2 0 0 0 0
2 10 2 0 0 0 0
4 5 2 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
5 7 1 0 0 0 0
S SKP 7
ID BMCCPUXA0021
NAME Xanthine
FORMULA C5H4N4O2
EXACTMASS 152.0334
AVERAGEMASS 152.111
SMILES O=C(N1)Nc(n2)c(nc2)C(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00385
M END
