Mol:LBF16000BC05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-2.7981 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7036 3.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9941 3.2138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9941 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 3.2138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 2.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3856 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7981 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7981 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0935 -3.9296 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
3 4 1 4 0 0 0
5 6 1 4 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
3 10 1 0 0 0 0
5 20 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
14 15 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
S SKP 5
ID LBF16000BC05
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCC(C)CCCCCCCCCCCC(C)C(O)=O
M END
</pre>
