Mol:LBF14105SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 0 0 0 0 0 0999 V2000
3.0910 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7042 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4192 -0.5307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7042 0.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4860 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8535 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2017 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5390 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0976 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1065 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6015 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2615 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7977 -0.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4192 -0.1636 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
2 4 2 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
1 5 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 2 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
S SKP 5
ID LBF14105SC01
FORMULA C14H26O2
EXACTMASS 226.19328007599998
AVERAGEMASS 226.35504
SMILES CCCCC=CCCCCCCCC(O)=O
M END
</pre>
