Mol:LBF16000BC04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 1 0 0 0 0 0999 V2000
-3.4030 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7769 1.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4913 1.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 1.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0481 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4973 2.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1367 1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7242 1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1367 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7242 -0.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1367 -0.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7242 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4492 -2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9905 1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1655 1.9791 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
2 6 1 0 0 0 0
4 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
4 9 1 0 0 0 0
1 10 1 0 0 0 0
2 16 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 18 2 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
20 9 1 0 0 0 0
S SKP 5
ID LBF16000BC04
FORMULA C18H36O2
EXACTMASS 284.271530396
AVERAGEMASS 284.47724
SMILES CCCCCCCCC(C)CCCC(C)CCC(O)=O
M END
</pre>
