Mol:LBF08102BC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
0.2217 -0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2217 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8163 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 0.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5634 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1468 0.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0901 -0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3088 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8466 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0497 -0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
4 11 1 0 0 0 0
1 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
3 10 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
3 11 2 0 0 0 0
11 12 1 0 0 0 0
S SKP 5
ID LBF08102BC02
FORMULA C10H18O2
EXACTMASS 170.13067981999998
AVERAGEMASS 170.24872
SMILES CC(C)=CCCCC(C)C(O)=O
M END
</pre>
