Mol:BMMCACDEk011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 0 0 0 0 0 0999 V2000 | + | 16 16 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.5000 0.2010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5000 0.2010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -1.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5000 -1.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 16 1 6 0 0 0 | + | 4 16 1 6 0 0 0 |
| − | 1 7 1 6 0 0 0 | + | 1 7 1 6 0 0 0 |
| − | 1 8 1 1 0 0 0 | + | 1 8 1 1 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 13 2 0 0 0 0 | + | 9 13 2 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 10 15 2 0 0 0 0 | + | 10 15 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACDEk011 | + | ID BMMCACDEk011 |
| − | NAME Prephenic acid | + | NAME Prephenic acid |
| − | FORMULA C10H10O6 | + | FORMULA C10H10O6 |
| − | EXACTMASS 226.0477 | + | EXACTMASS 226.0477 |
| − | AVERAGEMASS 226.1828 | + | AVERAGEMASS 226.1828 |
| − | SMILES O[C@H](C=1)C=C[C@@](C1)(C(O)=O)CC(=O)C(O)=O | + | SMILES O[C@H](C=1)C=C[C@@](C1)(C(O)=O)CC(=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00254 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00254 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 0 0 0 0 0 0999 V2000
3.5000 0.2010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3660 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 16 1 6 0 0 0
1 7 1 6 0 0 0
1 8 1 1 0 0 0
8 9 1 0 0 0 0
9 13 2 0 0 0 0
10 14 1 0 0 0 0
10 15 2 0 0 0 0
9 10 1 0 0 0 0
7 12 1 0 0 0 0
7 11 2 0 0 0 0
S SKP 7
ID BMMCACDEk011
NAME Prephenic acid
FORMULA C10H10O6
EXACTMASS 226.0477
AVERAGEMASS 226.1828
SMILES O[C@H](C=1)C=C[C@@](C1)(C(O)=O)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00254
M END
