Mol:LBF172nnHO01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 19 0 0 1 0 0 0 0 0999 V2000 | + | 20 19 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.1959 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1959 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9109 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9109 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9109 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9109 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1959 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1959 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4823 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4823 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4823 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4823 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7687 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.7687 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0549 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0549 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6587 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6587 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3723 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3723 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0859 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0859 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7687 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7687 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0549 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0549 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6587 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6587 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3723 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3723 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9109 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9109 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7687 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7687 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0845 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0845 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0845 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0845 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7990 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7990 0.4118 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 |
| − | 6 12 1 0 0 0 0 | + | 6 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 |
| − | 11 16 3 0 0 0 0 | + | 11 16 3 0 0 0 0 |
| − | 7 17 1 1 0 0 0 | + | 7 17 1 1 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF172nnHO01 | + | ID LBF172nnHO01 |
| − | FORMULA C17H30O3 | + | FORMULA C17H30O3 |
| − | EXACTMASS 282.21949482599996 | + | EXACTMASS 282.21949482599996 |
| − | AVERAGEMASS 282.4183 | + | AVERAGEMASS 282.4183 |
| − | SMILES C#CCCCC(O)CCCCCCCCCCC(O)=O | + | SMILES C#CCCCC(O)CCCCCCCCCCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-2.1959 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9109 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9109 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 -0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4823 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4823 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7687 -0.8243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0549 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7687 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3723 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9109 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7687 -1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0845 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0845 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7990 0.4118 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
4 5 1 0 0 0 0
1 6 1 0 0 0 0
5 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
6 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
11 16 3 0 0 0 0
7 17 1 1 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 5
ID LBF172nnHO01
FORMULA C17H30O3
EXACTMASS 282.21949482599996
AVERAGEMASS 282.4183
SMILES C#CCCCC(O)CCCCCCCCCCC(O)=O
M END
