Mol:BMSUM6Up--11
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 12 0 0 1 0 0 0 0 0999 V2000 | + | 13 12 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 2 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 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 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 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 |
| − | 3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5000 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 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 3 10 1 6 0 0 0 | + | 3 10 1 6 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6Up--11 | + | ID BMSUM6Up--11 |
| − | NAME 5-Dehydro-4-deoxy-D-glucaric acid | + | NAME 5-Dehydro-4-deoxy-D-glucaric acid |
| − | FORMULA C6H8O7 | + | FORMULA C6H8O7 |
| − | EXACTMASS 192.027 | + | EXACTMASS 192.027 |
| − | AVERAGEMASS 192.1235 | + | AVERAGEMASS 192.1235 |
| − | SMILES OC(=O)C(=O)C[C@H](O)[C@@H](O)C(O)=O | + | SMILES OC(=O)C(=O)C[C@H](O)[C@@H](O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00679 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00679 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 2 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
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 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
3.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 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
2 1 1 0 0 0 0
1 8 2 0 0 0 0
1 7 1 0 0 0 0
3 10 1 6 0 0 0
5 11 2 0 0 0 0
5 6 1 0 0 0 0
6 12 2 0 0 0 0
6 13 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
S SKP 7
ID BMSUM6Up--11
NAME 5-Dehydro-4-deoxy-D-glucaric acid
FORMULA C6H8O7
EXACTMASS 192.027
AVERAGEMASS 192.1235
SMILES OC(=O)C(=O)C[C@H](O)[C@@H](O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00679
M END
