Mol:LBF20000BC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.7988 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-5.3817 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9647 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2158 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6328 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0497 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4667 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3008 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4483 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0326 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6156 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3647 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9476 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5306 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2470 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7988 -1.0319 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
13 14 1 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
1 23 1 4 0 0 0
S SKP 5
ID LBF20000BC01
FORMULA C21H42O2
EXACTMASS 326.318480588
AVERAGEMASS 326.55698
SMILES C(C(CCCCCCCCCCCCCCCCC(O)=O)C)C
M END
</pre>
