Mol:LBF15000SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 0 0 0 0 0 0999 V2000
4.2852 -0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0002 -0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2852 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6719 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9844 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3231 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6548 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9948 -0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3238 -0.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3389 -0.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0072 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6672 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3382 -0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0009 -0.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6692 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3292 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0002 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
5 6 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
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
S SKP 5
ID LBF15000SC01
FORMULA C15H30O2
EXACTMASS 242.22458020399998
AVERAGEMASS 242.3975
SMILES CCCCCCCCCCCCCCC(O)=O
M END
</pre>
