Mol:BMMCACCHk022
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 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 0.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 10 1 6 0 0 0 | + | 1 10 1 6 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 5 13 1 1 0 0 0 | + | 5 13 1 1 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 12 1 6 0 0 0 | + | 4 12 1 6 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 3 11 1 6 0 0 0 | + | 3 11 1 6 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACCHk022 | + | ID BMMCACCHk022 |
| − | NAME Quinic acid | + | NAME Quinic acid |
| − | FORMULA C7H12O6 | + | FORMULA C7H12O6 |
| − | EXACTMASS 192.0633 | + | EXACTMASS 192.0633 |
| − | AVERAGEMASS 192.1665 | + | AVERAGEMASS 192.1665 |
| − | SMILES O[C@H](C1)[C@@H](O)[C@H](O)C[C@](O)1C(O)=O | + | SMILES O[C@H](C1)[C@@H](O)[C@H](O)C[C@](O)1C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00296 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00296 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
3.7321 0.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 6 0 0 0
2 3 1 0 0 0 0
5 13 1 1 0 0 0
3 4 1 0 0 0 0
4 12 1 6 0 0 0
4 5 1 0 0 0 0
3 11 1 6 0 0 0
5 6 1 0 0 0 0
1 7 1 1 0 0 0
6 1 1 0 0 0 0
7 9 1 0 0 0 0
1 2 1 0 0 0 0
7 8 2 0 0 0 0
S SKP 7
ID BMMCACCHk022
NAME Quinic acid
FORMULA C7H12O6
EXACTMASS 192.0633
AVERAGEMASS 192.1665
SMILES O[C@H](C1)[C@@H](O)[C@H](O)C[C@](O)1C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00296
M END
