Mol:LBF12000BC01
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 |
| − | -2.4661 -0.2076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4661 -0.2076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.0491 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0491 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6320 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6320 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8831 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8831 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3001 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3001 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7170 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7170 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1341 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1341 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4489 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4489 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0319 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0319 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6149 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6149 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1980 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1980 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9142 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9142 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6320 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6320 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9130 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9130 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4661 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4661 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 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 |
| − | 12 14 2 0 0 0 0 | + | 12 14 2 0 0 0 0 |
| − | 1 15 1 4 0 0 0 | + | 1 15 1 4 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF12000BC01 | + | ID LBF12000BC01 |
| − | FORMULA C13H26O2 | + | FORMULA C13H26O2 |
| − | EXACTMASS 214.19328007599998 | + | EXACTMASS 214.19328007599998 |
| − | AVERAGEMASS 214.34433999999996 | + | AVERAGEMASS 214.34433999999996 |
| − | SMILES CCC(C)CCCCCCCCC(O)=O | + | SMILES CCC(C)CCCCCCCCC(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
-2.4661 -0.2076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0491 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6320 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8831 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3001 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7170 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1341 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0319 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6149 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1980 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9142 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6320 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9130 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4661 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 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
12 14 2 0 0 0 0
1 15 1 4 0 0 0
S SKP 5
ID LBF12000BC01
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCC(C)CCCCCCCCC(O)=O
M END
