Mol:BMMCBZ1Sg019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 15 0 0 1 0 0 0 0 0999 V2000 | + | 15 15 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 |
| − | 2.8660 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2500 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 |
| − | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 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 |
| − | 2.0000 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 14 2 0 0 0 0 | + | 1 14 2 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 5 1 4 0 0 0 | + | 2 5 1 4 0 0 0 |
| − | 3 15 1 4 0 0 0 | + | 3 15 1 4 0 0 0 |
| − | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ1Sg019 | + | ID BMMCBZ1Sg019 |
| − | NAME Benzyl (2R,3S)-2-methyl-3-hydroxy-butanoic acid | + | NAME Benzyl (2R,3S)-2-methyl-3-hydroxy-butanoic acid |
| − | FORMULA C12H16O3 | + | FORMULA C12H16O3 |
| − | EXACTMASS 208.1099 | + | EXACTMASS 208.1099 |
| − | AVERAGEMASS 208.2536 | + | AVERAGEMASS 208.2536 |
| − | SMILES CC(O)C(C)C(=O)OCc(c1)cccc1 | + | SMILES CC(O)C(C)C(=O)OCc(c1)cccc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04561 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04561 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 15 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
2.8660 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 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
2.0000 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
1 14 2 0 0 0 0
1 13 1 0 0 0 0
2 1 1 0 0 0 0
2 5 1 4 0 0 0
3 15 1 4 0 0 0
9 8 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
7 8 1 0 0 0 0
7 6 1 0 0 0 0
6 13 1 0 0 0 0
S SKP 7
ID BMMCBZ1Sg019
NAME Benzyl (2R,3S)-2-methyl-3-hydroxy-butanoic acid
FORMULA C12H16O3
EXACTMASS 208.1099
AVERAGEMASS 208.2536
SMILES CC(O)C(C)C(=O)OCc(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04561
M END
