Mol:BMSUM6U0--01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 11 0 0 1 0 0 0 0 0999 V2000 | + | 12 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 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 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 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -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 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.7500 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 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 10 1 1 0 0 0 | + | 4 10 1 1 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 5 11 1 6 0 0 0 | + | 5 11 1 6 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6U0--01 | + | ID BMSUM6U0--01 |
| − | NAME 2-Deoxy-D-gluconic acid | + | NAME 2-Deoxy-D-gluconic acid |
| − | FORMULA C6H12O6 | + | FORMULA C6H12O6 |
| − | EXACTMASS 180.0633 | + | EXACTMASS 180.0633 |
| − | AVERAGEMASS 180.1558 | + | AVERAGEMASS 180.1558 |
| − | SMILES OC[C@@H](O)[C@@H](O)[C@H](O)CC(O)=O | + | SMILES OC[C@@H](O)[C@@H](O)[C@H](O)CC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02782 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02782 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
4.5981 1.7500 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 2 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 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 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 9 1 1 0 0 0
4 5 1 0 0 0 0
4 10 1 1 0 0 0
5 6 1 0 0 0 0
6 12 1 0 0 0 0
5 11 1 6 0 0 0
2 1 1 0 0 0 0
1 7 2 0 0 0 0
1 8 1 0 0 0 0
S SKP 7
ID BMSUM6U0--01
NAME 2-Deoxy-D-gluconic acid
FORMULA C6H12O6
EXACTMASS 180.0633
AVERAGEMASS 180.1558
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02782
M END
