Mol:LBF18207MO01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 22 0 0 1 0 0 0 0 0999 V2000
-4.7188 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4869 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 1.1666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.4869 1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0786 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6661 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8411 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3063 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 1.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7188 0.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -0.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7742 -1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1867 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8518 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5662 2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5354 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1728 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 22 1 0 0 0 0
3 23 1 0 0 0 0
5 4 1 4 0 0 0
2 6 1 4 0 0 0
1 7 1 0 0 0 0
2 10 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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
5 14 1 0 0 0 0
11 19 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
5 20 1 0 0 0 0
20 21 1 0 0 0 0
3 22 2 0 0 0 0
4 23 2 0 0 0 0
S SKP 5
ID LBF18207MO01
FORMULA C19H34O4
EXACTMASS 326.24570957599997
AVERAGEMASS 326.47086
SMILES CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O
M END
</pre>
