Mol:LBF18204SC01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
20 19 0 0 0 0 0 0 0 0999 V2000
3.4265 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9985 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6035 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9985 0.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8765 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3265 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8315 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3465 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1760 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6160 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0285 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6885 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1010 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5410 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2835 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6960 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1635 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6035 -0.6841 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 1 0 0 0 0
13 14 2 0 0 0 0
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 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 LBF18204SC01
FORMULA C18H32O2
EXACTMASS 280.240230268
AVERAGEMASS 280.44548000000003
SMILES CCCC=CCC=CCCCCCCCCCC(O)=O
M END
</pre>
