Mol:LBF13000OX03
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 0 0 0 0 0 0999 V2000 | + | 16 15 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6441 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6441 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9296 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 -1.0312 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 6 2 0 0 0 0 | + | 4 6 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 |
| − | 14 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF13000OX03 | + | ID LBF13000OX03 |
| − | FORMULA C13H24O3 | + | FORMULA C13H24O3 |
| − | EXACTMASS 228.172544634 | + | EXACTMASS 228.172544634 |
| − | AVERAGEMASS 228.32786 | + | AVERAGEMASS 228.32786 |
| − | SMILES CC(=O)CCCCCCCCCCC(O)=O | + | SMILES CC(=O)CCCCCCCCCCC(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 0 0 0 0 0 0999 V2000
1.7862 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6441 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
1 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
S SKP 5
ID LBF13000OX03
FORMULA C13H24O3
EXACTMASS 228.172544634
AVERAGEMASS 228.32786
SMILES CC(=O)CCCCCCCCCCC(O)=O
M END
