Mol:LBF13000BC01
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 0 0 0 0 0 0999 V2000
-2.7576 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9235 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1746 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5916 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0085 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4256 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1574 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3234 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9065 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4894 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2071 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2099 -1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9235 0.2097 0.0000 O 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
2 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
S SKP 5
ID LBF13000BC01
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CC(C)CCCCCCCCCCC(O)=O
M END
</pre>
