Mol:BMFYB5DAk001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0981 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0981 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 6 0 0 0 | + | 2 1 1 6 0 0 0 |
| − | 5 8 1 0 0 0 0 | + | 5 8 1 0 0 0 0 |
| − | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 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 |
| − | 3 7 1 1 0 0 0 | + | 3 7 1 1 0 0 0 |
| − | 3 14 1 6 0 0 0 | + | 3 14 1 6 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB5DAk001 | + | ID BMFYB5DAk001 |
| − | NAME (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid | + | NAME (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid |
| − | FORMULA C7H10O7 | + | FORMULA C7H10O7 |
| − | EXACTMASS 206.0426 | + | EXACTMASS 206.0426 |
| − | AVERAGEMASS 206.1501 | + | AVERAGEMASS 206.1501 |
| − | SMILES OC(=O)C[C@H](C(O)=O)[C@@](C)(O)C(O)=O | + | SMILES OC(=O)C[C@H](C(O)=O)[C@@](C)(O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04593 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04593 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 6 0 0 0
5 8 1 0 0 0 0
5 9 2 0 0 0 0
1 5 1 0 0 0 0
6 10 1 0 0 0 0
6 11 2 0 0 0 0
2 6 1 0 0 0 0
7 12 1 0 0 0 0
7 13 2 0 0 0 0
3 7 1 1 0 0 0
3 14 1 6 0 0 0
S SKP 7
ID BMFYB5DAk001
NAME (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid
FORMULA C7H10O7
EXACTMASS 206.0426
AVERAGEMASS 206.1501
SMILES OC(=O)C[C@H](C(O)=O)[C@@](C)(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04593
M END
