Mol:LBF18206SC11
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.4265 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9985 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6035 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9985 0.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8765 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3265 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2540 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7590 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2640 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2585 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2210 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2935 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7885 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2835 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6960 -0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1635 0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6035 -0.7116 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
1 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 2 0 0 0 0
13 14 1 0 0 0 0
15 14 2 0 0 0 0
15 16 1 0 0 0 0
16 17 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 LBF18206SC11
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCCCC=CC=CCCCCCCCCC(O)=O
M END
</pre>
