Mol:LBF12000OX02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 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
13 14 1 0 0 0 0
11 15 2 0 0 0 0
S SKP 5
ID LBF12000OX02
FORMULA C12H22O3
EXACTMASS 214.15689457
AVERAGEMASS 214.30128
SMILES CCCC(=O)CCCCCCCC(O)=O
M END
