Mol:LBF16000BC03
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-2.6915 2.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7528 2.4993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7528 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 2.4993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4554 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0127 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4252 -3.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2790 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6915 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6915 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0722 2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3097 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
1 6 1 0 0 0 0
2 14 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
4 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
2 18 1 0 0 0 0
4 20 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
S SKP 5
ID LBF16000BC03
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCCCCCCCCCC(C)CCCC(C)C(O)=O
M END
</pre>
