Mol:LBF12000HO03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 1.7389 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7389 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3218 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3218 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9489 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9489 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5360 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5360 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9543 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9543 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1559 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.1559 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5729 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5729 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0102 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0102 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5932 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5932 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1761 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1761 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7591 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7591 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3421 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3421 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9527 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9527 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5360 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5360 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1559 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1559 -1.0876 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 |
| − | 3 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 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 |
| − | 6 15 1 4 0 0 0 | + | 6 15 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000HO03 | + | ID LBF12000HO03 |
| − | FORMULA C12H24O3 | + | FORMULA C12H24O3 |
| − | EXACTMASS 216.172544634 | + | EXACTMASS 216.172544634 |
| − | AVERAGEMASS 216.31716 | + | AVERAGEMASS 216.31716 |
| − | SMILES CCCCCCCCC(O)CCC(O)=O | + | SMILES CCCCCCCCC(O)CCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
1.7389 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9489 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5360 -0.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9543 1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -0.2626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5729 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1761 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9527 0.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -1.0876 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
3 5 2 0 0 0 0
1 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
6 15 1 4 0 0 0
S SKP 5
ID LBF12000HO03
FORMULA C12H24O3
EXACTMASS 216.172544634
AVERAGEMASS 216.31716
SMILES CCCCCCCCC(O)CCC(O)=O
M END
