Mol:LBF20503HO07
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.0356 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0356 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6097 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6097 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8961 -0.4118 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.1825 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4689 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3561 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0711 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3561 1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0697 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7834 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6084 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0356 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8961 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 11 2 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
10 15 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
7 20 1 6 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
S SKP 5
ID LBF20503HO07
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)=CCC
M END
</pre>
