Mol:BMFYB4CAr005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 9 0 0 1 0 0 0 0 0999 V2000 | + | 10 9 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 1 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 |
| − | 2.3660 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 9 1 6 0 0 0 | + | 2 9 1 6 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB4CAr005 | + | ID BMFYB4CAr005 |
| − | NAME (R)-Pantoic acid | + | NAME (R)-Pantoic acid |
| − | FORMULA C6H12O4 | + | FORMULA C6H12O4 |
| − | EXACTMASS 148.0735 | + | EXACTMASS 148.0735 |
| − | AVERAGEMASS 148.157 | + | AVERAGEMASS 148.157 |
| − | SMILES OCC(C)(C)[C@@H](O)C(O)=O | + | SMILES OCC(C)(C)[C@@H](O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00522 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00522 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 1 0 0 0 0 0999 V2000
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 1 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
2.3660 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 9 1 6 0 0 0
2 3 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
6 10 1 0 0 0 0
S SKP 7
ID BMFYB4CAr005
NAME (R)-Pantoic acid
FORMULA C6H12O4
EXACTMASS 148.0735
AVERAGEMASS 148.157
SMILES OCC(C)(C)[C@@H](O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00522
M END
