Mol:LBF16000BC06
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-3.5948 2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5003 2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7138 2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7138 1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7253 2.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7253 1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 1.7861 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 0.3572 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 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4008 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8133 -3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8720 2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5948 3.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5948 1.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3573 2.5005 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 15 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
14 15 1 0 0 0 0
5 16 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
16 20 1 0 0 0 0
S SKP 5
ID LBF16000BC06
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCC(C)CCCCCCCCCC(C)CCC(O)=O
M END
</pre>
