Mol:BMFYB6DAk004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3220 -2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3220 -2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 11 1 4 0 0 0 | + | 4 11 1 4 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 10 2 0 0 0 0 | + | 2 10 2 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 1 9 2 0 0 0 0 | + | 1 9 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 6 13 2 0 0 0 0 | + | 6 13 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB6DAk004 | + | ID BMFYB6DAk004 |
| − | NAME 4-Carboxy-4-hydroxy-2-oxo-adipic acid | + | NAME 4-Carboxy-4-hydroxy-2-oxo-adipic acid |
| − | FORMULA C7H8O8 | + | FORMULA C7H8O8 |
| − | EXACTMASS 220.0219 | + | EXACTMASS 220.0219 |
| − | AVERAGEMASS 220.1336 | + | AVERAGEMASS 220.1336 |
| − | SMILES OC(=O)CC(O)(CC(=O)C(O)=O)C(O)=O | + | SMILES OC(=O)CC(O)(CC(=O)C(O)=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04115 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04115 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8220 -1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3220 -2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 11 1 4 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 10 2 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
2 1 1 0 0 0 0
4 7 1 0 0 0 0
7 14 2 0 0 0 0
7 15 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 12 1 0 0 0 0
6 13 2 0 0 0 0
S SKP 7
ID BMFYB6DAk004
NAME 4-Carboxy-4-hydroxy-2-oxo-adipic acid
FORMULA C7H8O8
EXACTMASS 220.0219
AVERAGEMASS 220.1336
SMILES OC(=O)CC(O)(CC(=O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04115
M END
