Mol:LBF09000HO05
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
1.1419 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3519 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9391 -0.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3574 0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5589 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0241 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6071 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7731 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3561 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9391 -0.6751 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
3 5 2 0 0 0 0
1 6 1 0 0 0 0
6 7 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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
S SKP 5
ID LBF09000HO05
FORMULA C9H18O3
EXACTMASS 174.125594442
AVERAGEMASS 174.23742
SMILES OCCCCCCCCC(O)=O
M END
</pre>
