Mol:LBF13000BC03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 1 0 0 0 0 0999 V2000 | + | 16 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 0.6297 -1.4240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6297 -1.4240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6297 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6297 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1644 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1644 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1644 2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1644 2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7533 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7533 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9312 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9312 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5201 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5201 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6980 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6980 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5352 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5352 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9463 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9463 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7684 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7684 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1795 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1795 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0910 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0910 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5021 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5021 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5021 -2.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5021 -2.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 4 0 0 0 | + | 1 2 1 4 0 0 0 |
| − | 1 4 1 0 0 0 0 | + | 1 4 1 0 0 0 0 |
| − | 3 13 1 0 0 0 0 | + | 3 13 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 |
| − | 1 14 1 0 0 0 0 | + | 1 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 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF13000BC03 | + | ID LBF13000BC03 |
| − | FORMULA C14H28O2 | + | FORMULA C14H28O2 |
| − | EXACTMASS 228.20893013999998 | + | EXACTMASS 228.20893013999998 |
| − | AVERAGEMASS 228.37091999999998 | + | AVERAGEMASS 228.37091999999998 |
| − | SMILES CCCCCCCCCCCC(C)C(O)=O | + | SMILES CCCCCCCCCCCC(C)C(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 1 0 0 0 0 0999 V2000
0.6297 -1.4240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6297 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7533 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9312 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5201 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6980 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9463 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7684 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0910 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5021 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5021 -2.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
3 13 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
1 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF13000BC03
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCCCCC(C)C(O)=O
M END
