Mol:LBF12000BC03
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.7019 1.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7019 1.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7631 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7631 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7631 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4451 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.4451 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4451 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0619 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0619 1.0717 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 |
| − | -1.4355 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4355 1.0717 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 |
| − | -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 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0230 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4355 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4355 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2894 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2894 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7019 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7019 1.7862 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 |
| − | 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 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 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 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 4 14 1 0 0 0 0 | + | 4 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC03 | + | ID LBF12000BC03 |
| − | FORMULA C14H28O2 | + | FORMULA C14H28O2 |
| − | EXACTMASS 228.20893013999998 | + | EXACTMASS 228.20893013999998 |
| − | AVERAGEMASS 228.37091999999998 | + | AVERAGEMASS 228.37091999999998 |
| − | SMILES CCCCCCC(C)CCCC(C)C(O)=O | + | SMILES CCCCCCC(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/
16 15 0 0 1 0 0 0 0 0999 V2000
-2.7019 1.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7631 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 1.0717 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
-1.4355 1.0717 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
-1.4355 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0230 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4355 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 1.7862 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 3 1 4 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
2 13 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
12 13 1 0 0 0 0
4 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF12000BC03
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCC(C)CCCC(C)C(O)=O
M END
