Mol:LBF08000BC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
-1.3001 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8831 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4660 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7171 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1341 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4490 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0319 -0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7483 -0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4660 -0.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7469 0.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8831 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
5 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
8 10 2 0 0 0 0
2 11 1 0 0 0 0
S SKP 5
ID LBF08000BC02
FORMULA C9H18O2
EXACTMASS 158.13067981999998
AVERAGEMASS 158.23802
SMILES CC(C)CCCCCC(O)=O
M END
</pre>
