Mol:BMMCACDEq012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 10 10 0 0 1 0 0 0 0 0999 V2000 | + | 10 10 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 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 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 9 1 4 0 0 0 | + | 2 9 1 4 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 3 10 1 4 0 0 0 | + | 3 10 1 4 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACDEq012 | + | ID BMMCACDEq012 |
| − | NAME Styrene cis-glycol | + | NAME Styrene cis-glycol |
| − | FORMULA C8H10O2 | + | FORMULA C8H10O2 |
| − | EXACTMASS 138.068 | + | EXACTMASS 138.068 |
| − | AVERAGEMASS 138.1637 | + | AVERAGEMASS 138.1637 |
| − | SMILES C=CC(=C1)C(O)C(O)C=C1 | + | SMILES C=CC(=C1)C(O)C(O)C=C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07084 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07084 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
10 10 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 2 0 0 0 0
1 7 1 0 0 0 0
2 3 1 0 0 0 0
2 9 1 4 0 0 0
6 5 1 0 0 0 0
7 8 2 0 0 0 0
3 4 1 0 0 0 0
3 10 1 4 0 0 0
5 4 2 0 0 0 0
S SKP 7
ID BMMCACDEq012
NAME Styrene cis-glycol
FORMULA C8H10O2
EXACTMASS 138.068
AVERAGEMASS 138.1637
SMILES C=CC(=C1)C(O)C(O)C=C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07084
M END
