Mol:LBF18303SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.2065 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7785 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3835 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7785 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6565 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1065 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6115 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1440 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2365 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5785 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1560 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5960 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5585 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9710 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3835 0.0859 0.0000 C 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
2 4 2 0 0 0 0
1 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
15 14 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
S SKP 5
ID LBF18303SC01
FORMULA C18H30O2
EXACTMASS 278.224580204
AVERAGEMASS 278.4296
SMILES CCC=CCC=CCC=CCCCCCCCC(O)=O
M END
</pre>
