Mol:BMFYB6SAk005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 0 0 0 0 0 0999 V2000 | + | 14 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 9 1 0 0 0 0 | + | 2 9 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 1 10 2 0 0 0 0 | + | 1 10 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 8 14 1 0 0 0 0 | + | 8 14 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB6SAk005 | + | ID BMFYB6SAk005 |
| − | NAME 5-Carboxy-methyl-2-hydroxy-muconate semialdehyde | + | NAME 5-Carboxy-methyl-2-hydroxy-muconate semialdehyde |
| − | FORMULA C8H8O6 | + | FORMULA C8H8O6 |
| − | EXACTMASS 200.032 | + | EXACTMASS 200.032 |
| − | AVERAGEMASS 200.1455 | + | AVERAGEMASS 200.1455 |
| − | SMILES O=CC(=CC=C(O)C(O)=O)CC(O)=O | + | SMILES O=CC(=CC=C(O)C(O)=O)CC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04642 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04642 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 9 1 0 0 0 0
5 7 1 0 0 0 0
2 1 1 0 0 0 0
7 8 1 0 0 0 0
1 11 1 0 0 0 0
1 10 2 0 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
6 12 2 0 0 0 0
4 3 1 0 0 0 0
8 13 2 0 0 0 0
4 5 2 0 0 0 0
8 14 1 0 0 0 0
S SKP 7
ID BMFYB6SAk005
NAME 5-Carboxy-methyl-2-hydroxy-muconate semialdehyde
FORMULA C8H8O6
EXACTMASS 200.032
AVERAGEMASS 200.1455
SMILES O=CC(=CC=C(O)C(O)=O)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04642
M END
