Mol:LBF20306SC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
22 21 0 0 0 0 0 0 0 0999 V2000
-7.1447 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.6188 0.0000 O 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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 1 0 0 0 0
14 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
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
S SKP 5
ID LBF20306SC02
FORMULA C20H34O2
EXACTMASS 306.255880332
AVERAGEMASS 306.48276000000004
SMILES C(C=CC=CC=CCCCCCCCCCC(O)=O)CCC
M END
</pre>
