Mol:BMMCLA--q001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 9 9 0 0 1 0 0 0 0 0999 V2000 | + | 9 9 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.2601 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2601 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7601 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2601 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1569 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1569 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5201 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5201 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 0 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCLA--q001 | + | ID BMMCLA--q001 |
| − | NAME (R)-Pantolactone | + | NAME (R)-Pantolactone |
| − | FORMULA C6H10O3 | + | FORMULA C6H10O3 |
| − | EXACTMASS 130.0629 | + | EXACTMASS 130.0629 |
| − | AVERAGEMASS 130.1418 | + | AVERAGEMASS 130.1418 |
| − | SMILES O=C(O1)[C@H](O)C(C)(C)C1 | + | SMILES O=C(O1)[C@H](O)C(C)(C)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01012 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01012 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
9 9 0 0 1 0 0 0 0 0999 V2000
3.2601 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5691 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1569 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 0.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
2 8 2 0 0 0 0
3 9 1 1 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
S SKP 7
ID BMMCLA--q001
NAME (R)-Pantolactone
FORMULA C6H10O3
EXACTMASS 130.0629
AVERAGEMASS 130.1418
SMILES O=C(O1)[C@H](O)C(C)(C)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01012
M END
