Mol:LBF11000OX03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
1.0717 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 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
12 13 1 0 0 0 0
7 14 2 0 0 0 0
S SKP 5
ID LBF11000OX03
FORMULA C11H20O3
EXACTMASS 200.141244506
AVERAGEMASS 200.2747
SMILES CCCCCCC(=O)CCCC(O)=O
M END
