Mol:LBF18108HO05
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 21 0 0 1 0 0 0 0 0999 V2000 | + | 22 21 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.0376 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0376 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8915 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8915 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3668 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3668 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3668 2.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3668 2.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8915 2.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8915 2.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8139 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8139 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2264 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2264 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8139 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8139 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8139 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8139 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2264 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2264 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8139 -2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8139 -2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6250 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6250 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0376 2.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0376 2.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0376 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0376 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6881 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6881 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2755 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2755 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6881 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6881 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2755 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2755 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6881 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6881 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 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 |
| − | 13 12 1 4 0 0 0 | + | 13 12 1 4 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 3 22 2 0 0 0 0 | + | 3 22 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF18108HO05 | + | ID LBF18108HO05 |
| − | FORMULA C18H32O4 | + | FORMULA C18H32O4 |
| − | EXACTMASS 312.23005951199997 | + | EXACTMASS 312.23005951199997 |
| − | AVERAGEMASS 312.44428 | + | AVERAGEMASS 312.44428 |
| − | SMILES CCCCCCC(=O)C=CC(O)CCCCCCCC(O)=O | + | SMILES CCCCCCC(=O)C=CC(O)CCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 1 0 0 0 0 0999 V2000
-2.0376 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8915 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3668 2.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8915 2.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8139 -2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6250 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 2.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0376 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2755 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5172 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 4 0 0 0
2 6 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 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
13 12 1 4 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
1 17 1 0 0 0 0
2 21 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 2 0 0 0 0
S SKP 5
ID LBF18108HO05
FORMULA C18H32O4
EXACTMASS 312.23005951199997
AVERAGEMASS 312.44428
SMILES CCCCCCC(=O)C=CC(O)CCCCCCCC(O)=O
M END
