Mol:LBF10000OX02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6188 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
4 5 1 0 0 0 0
4 6 2 0 0 0 0
1 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
2 13 2 0 0 0 0
S SKP 5
ID LBF10000OX02
FORMULA C10H18O3
EXACTMASS 186.125594442
AVERAGEMASS 186.24812
SMILES CCCCCCCC(=O)CC(O)=O
M END
