Mol:BMMCACDEk004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 17 0 0 1 0 0 0 0 0999 V2000 | + | 17 17 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.1962 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 4 0 0 0 | + | 1 2 1 4 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 14 2 0 0 0 0 | + | 8 14 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 17 1 4 0 0 0 | + | 6 17 1 4 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 11 16 2 0 0 0 0 | + | 11 16 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACDEk004 | + | ID BMMCACDEk004 |
| − | NAME 2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylic acid | + | NAME 2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylic acid |
| − | FORMULA C11H12O6 | + | FORMULA C11H12O6 |
| − | EXACTMASS 240.0633 | + | EXACTMASS 240.0633 |
| − | AVERAGEMASS 240.2093 | + | AVERAGEMASS 240.2093 |
| − | SMILES OC(=O)CCC(=O)C(=C1)C(C(O)=O)C(O)C=C1 | + | SMILES OC(=O)CCC(=O)C(=C1)C(C(O)=O)C(O)C=C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05817 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05817 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 17 0 0 1 0 0 0 0 0999 V2000
7.1962 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
2 8 1 0 0 0 0
2 3 2 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
8 9 1 0 0 0 0
8 14 2 0 0 0 0
3 4 1 0 0 0 0
6 5 1 0 0 0 0
6 17 1 4 0 0 0
7 12 1 0 0 0 0
7 13 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 15 1 0 0 0 0
11 16 2 0 0 0 0
4 5 2 0 0 0 0
S SKP 7
ID BMMCACDEk004
NAME 2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylic acid
FORMULA C11H12O6
EXACTMASS 240.0633
AVERAGEMASS 240.2093
SMILES OC(=O)CCC(=O)C(=C1)C(C(O)=O)C(O)C=C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05817
M END
