Mol:BMSUM8U0--01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 1 0 0 0 0 0999 V2000 | + | 16 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 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 |
| − | 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 |
| − | 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 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 | + | 3.7321 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 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 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.2500 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 | + | 2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 10 2 0 0 0 0 | + | 1 10 2 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 4 12 1 1 0 0 0 | + | 4 12 1 1 0 0 0 |
| − | 5 13 1 6 0 0 0 | + | 5 13 1 6 0 0 0 |
| − | 6 14 1 6 0 0 0 | + | 6 14 1 6 0 0 0 |
| − | 7 15 1 1 0 0 0 | + | 7 15 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 2 11 2 0 0 0 0 | + | 2 11 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM8U0--01 | + | ID BMSUM8U0--01 |
| − | NAME 3-Deoxy-D-manno-octulosonic acid | + | NAME 3-Deoxy-D-manno-octulosonic acid |
| − | FORMULA C8H14O8 | + | FORMULA C8H14O8 |
| − | EXACTMASS 238.0688 | + | EXACTMASS 238.0688 |
| − | AVERAGEMASS 238.1919 | + | AVERAGEMASS 238.1919 |
| − | SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC(=O)C(O)=O | + | SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC(=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01187 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01187 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
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
4.5981 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 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
3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 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 -1.2500 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
1 2 1 0 0 0 0
1 10 2 0 0 0 0
1 9 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
4 12 1 1 0 0 0
5 13 1 6 0 0 0
6 14 1 6 0 0 0
7 15 1 1 0 0 0
7 8 1 0 0 0 0
8 16 1 0 0 0 0
2 11 2 0 0 0 0
S SKP 7
ID BMSUM8U0--01
NAME 3-Deoxy-D-manno-octulosonic acid
FORMULA C8H14O8
EXACTMASS 238.0688
AVERAGEMASS 238.1919
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC(=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01187
M END
