Mol:LBF12000HO04
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
1.7389 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9489 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5360 -0.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9543 1.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5729 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0102 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1761 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7591 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9527 0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5360 -1.0465 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
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
S SKP 5
ID LBF12000HO04
FORMULA C12H24O3
EXACTMASS 216.172544634
AVERAGEMASS 216.31716
SMILES OCCCCCCCCCCCC(O)=O
M END
</pre>
