Mol:LBF12000BC06
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 |
| − | 0.0645 -1.0680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0645 -1.0680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.5287 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5287 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0645 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0645 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4853 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4853 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6943 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6943 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2833 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2833 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0501 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0501 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7721 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7721 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1831 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1831 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0053 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0053 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4164 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4164 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0743 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0743 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4853 -0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4853 -0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4853 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4853 -1.7800 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 |
| − | 1 3 1 4 0 0 0 | + | 1 3 1 4 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 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 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC06 | + | ID LBF12000BC06 |
| − | FORMULA C13H26O2 | + | FORMULA C13H26O2 |
| − | EXACTMASS 214.19328007599998 | + | EXACTMASS 214.19328007599998 |
| − | AVERAGEMASS 214.34433999999996 | + | AVERAGEMASS 214.34433999999996 |
| − | SMILES CCCCCCCCCC(C)CC(O)=O | + | SMILES CCCCCCCCCC(C)CC(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
0.0645 -1.0680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5287 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0645 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4853 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6943 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2833 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0501 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1831 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4853 -0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4853 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 4 0 0 0
1 5 1 0 0 0 0
4 12 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
2 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12000BC06
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCCCC(C)CC(O)=O
M END
