Mol:LBF08000OX05
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 10 0 0 0 0 0 0 0 0999 V2000 | + | 11 10 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0000 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -0.2063 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 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.2063 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 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.0312 0.0000 O 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 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.2063 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 |
| − | -1.4289 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -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 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF08000OX05 | + | ID LBF08000OX05 |
| − | FORMULA C8H14O3 | + | FORMULA C8H14O3 |
| − | EXACTMASS 158.094294314 | + | EXACTMASS 158.094294314 |
| − | AVERAGEMASS 158.19495999999998 | + | AVERAGEMASS 158.19495999999998 |
| − | SMILES CCC(=O)CCCCC(O)=O | + | SMILES CCC(=O)CCCCC(O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
0.0000 -0.2063 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 -0.2063 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 -0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0312 0.0000 O 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 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.2063 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
-1.4289 -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
8 11 2 0 0 0 0
S SKP 5
ID LBF08000OX05
FORMULA C8H14O3
EXACTMASS 158.094294314
AVERAGEMASS 158.19495999999998
SMILES CCC(=O)CCCCC(O)=O
M END
