Mol:LBF16000BC07
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-3.5949 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5004 1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7139 1.7848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7139 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7253 1.7848 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7253 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -2.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1824 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5949 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5949 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6658 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0783 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9033 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3158 0.3572 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
3 7 1 0 0 0 0
5 13 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
14 15 2 0 0 0 0
14 16 1 0 0 0 0
5 17 1 0 0 0 0
14 20 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 LBF16000BC07
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCC(C)CCCCCCCC(C)CCCCC(O)=O
M END
</pre>
