Mol:LBF20407OX01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 0 0 0 0 0 0999 V2000
-3.5289 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2914 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5778 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0392 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 0.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3881 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5289 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 -1.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 1.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 2 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
7 10 1 0 0 0 0
9 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 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
10 20 2 0 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 LBF20407OX01
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(CCC(C=CC=CCC=CCC=CCCCC(O)=O)=O)CC
M END
</pre>
