Mol:LBF16000HO11
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 20 0 0 1 0 0 0 0 0999 V2000 | + | 21 20 0 0 1 0 0 0 0 0999 V2000 |
| − | -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8579 -0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7158 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7158 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0013 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0013 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0013 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -5.0013 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0013 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0013 1.0313 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 |
| − | 5 6 1 0 0 0 0 | + | 5 6 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 |
| − | 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 4 0 0 0 | + | 17 18 1 4 0 0 0 |
| − | 4 19 1 4 0 0 0 | + | 4 19 1 4 0 0 0 |
| − | 3 20 1 4 0 0 0 | + | 3 20 1 4 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF16000HO11 | + | ID LBF16000HO11 |
| − | FORMULA C16H32O5 | + | FORMULA C16H32O5 |
| − | EXACTMASS 304.224974134 | + | EXACTMASS 304.224974134 |
| − | AVERAGEMASS 304.42228 | + | AVERAGEMASS 304.42228 |
| − | SMILES CC(O)CCC(O)C(O)CCCCCCCCCC(O)=O | + | SMILES CC(O)CCC(O)C(O)CCCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1434 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 0.2062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-5.7158 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 1.0313 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
5 6 1 0 0 0 0
6 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
1 17 1 0 0 0 0
17 18 1 4 0 0 0
4 19 1 4 0 0 0
3 20 1 4 0 0 0
17 21 1 0 0 0 0
S SKP 5
ID LBF16000HO11
FORMULA C16H32O5
EXACTMASS 304.224974134
AVERAGEMASS 304.42228
SMILES CC(O)CCC(O)C(O)CCCCCCCCCC(O)=O
M END
