Mol:LBF19000BC02
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 |
| − | -2.7019 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7019 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7631 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7631 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4451 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4451 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6418 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6418 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2293 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2293 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7019 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7019 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7019 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7019 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4744 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4744 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2994 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2994 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 4 0 0 0 | + | 2 3 1 4 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF19000BC02 | + | ID LBF19000BC02 |
| − | FORMULA C11H22O2 | + | FORMULA C11H22O2 |
| − | EXACTMASS 186.16197994799998 | + | EXACTMASS 186.16197994799998 |
| − | AVERAGEMASS 186.29118 | + | AVERAGEMASS 186.29118 |
| − | SMILES CCCC(C)CCCC(C)C(O)=O | + | SMILES CCCC(C)CCCC(C)C(O)=O |
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
-2.7019 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7631 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6418 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2293 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
1 6 1 0 0 0 0
2 7 1 0 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
2 11 1 0 0 0 0
4 13 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
S SKP 5
ID LBF19000BC02
FORMULA C11H22O2
EXACTMASS 186.16197994799998
AVERAGEMASS 186.29118
SMILES CCCC(C)CCCC(C)C(O)=O
M END
