Mol:LBF12000BC16
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 |
| − | -4.0897 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0897 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8766 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.8766 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7502 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7502 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8766 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8766 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2958 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.2958 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.2958 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2958 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6786 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6786 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0897 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0897 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0897 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0897 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2645 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2645 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8535 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8535 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2645 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2645 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8535 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8535 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2645 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2645 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8535 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8535 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2645 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2645 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 4 1 4 0 0 0 | + | 2 4 1 4 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 5 6 1 4 0 0 0 | + | 5 6 1 4 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 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 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC16 | + | ID LBF12000BC16 |
| − | FORMULA C14H28O2 | + | FORMULA C14H28O2 |
| − | EXACTMASS 228.20893013999998 | + | EXACTMASS 228.20893013999998 |
| − | AVERAGEMASS 228.37091999999998 | + | AVERAGEMASS 228.37091999999998 |
| − | SMILES CCCCCCCCC(C)CC(C)C(O)=O | + | SMILES CCCCCCCCC(C)CC(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
-4.0897 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7502 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2958 1.7800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.2958 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6786 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0897 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0897 1.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2645 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8535 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2645 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8535 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2645 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8535 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2645 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
2 4 1 4 0 0 0
3 5 1 0 0 0 0
5 6 1 4 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
1 10 1 0 0 0 0
2 16 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
15 16 1 0 0 0 0
S SKP 5
ID LBF12000BC16
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCC(C)CC(C)C(O)=O
M END
