Mol:LBF20503HO06
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.0427 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0427 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3279 -0.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6143 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6143 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3279 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1846 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4697 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3581 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7865 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3279 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0427 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 -1.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0703 0.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0703 -0.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7859 1.2390 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 1 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 2 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 1 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 LBF20503HO06
FORMULA C20H30O3
EXACTMASS 318.21949482599996
AVERAGEMASS 318.4504
SMILES C(CC=CC=C(CCC=CCC=CCCCC(O)=O)O)=CCC
M END
</pre>
