Mol:LBF11000BC02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.7019 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7019 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7631 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7631 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4451 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4451 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7019 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7019 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7019 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7019 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4355 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4355 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0230 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0230 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1980 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1980 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2145 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2145 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0619 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0619 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4744 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4744 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2994 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2994 -0.3572 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 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 4 15 1 0 0 0 0 | + | 4 15 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF11000BC02 | + | ID LBF11000BC02 |
| − | FORMULA C13H26O2 | + | FORMULA C13H26O2 |
| − | EXACTMASS 214.19328007599998 | + | EXACTMASS 214.19328007599998 |
| − | AVERAGEMASS 214.34433999999996 | + | AVERAGEMASS 214.34433999999996 |
| − | SMILES CCCCCC(C)CCCC(C)C(O)=O | + | SMILES CCCCCC(C)CCCC(C)C(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-2.7019 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7631 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4355 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0230 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1980 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2145 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -0.3572 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
4 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
2 12 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
2 13 1 0 0 0 0
4 15 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
S SKP 5
ID LBF11000BC02
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCC(C)CCCC(C)C(O)=O
M END
