Mol:LBF16000BC11
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-1.9951 2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3018 2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1560 2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3018 2.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1560 2.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7513 2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3388 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4863 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 -1.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 -2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 -3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5826 2.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9951 3.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9951 1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 4 1 0 0 0 0
3 5 1 4 0 0 0
2 6 1 0 0 0 0
3 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
3 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
17 16 1 4 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 5
ID LBF16000BC11
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CC(C)CCCC(C)CCCCCCCCCC(O)=O
M END
</pre>
