Mol:LBF172nnHO01
From Metabolomics.JP
<pre>
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
</pre>
