Mol:LBF10204SC02
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
1.6191 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9473 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2323 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5741 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0419 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6579 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3509 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8184 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3959 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9473 -0.0406 0.0000 C 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
2 4 2 0 0 0 0
1 5 2 0 0 0 0
5 6 1 0 0 0 0
7 6 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 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 LBF10204SC02
FORMULA C10H16O2
EXACTMASS 168.11502975599998
AVERAGEMASS 168.23283999999998
SMILES CCCC=CCCC=CC(O)=O
M END
</pre>
