Mol:LBF12000BC08
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-0.4627 -0.7120 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4627 0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0126 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6015 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0126 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0126 -1.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0661 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4772 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2993 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7104 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5326 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9436 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9986 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
3 12 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
1 13 1 0 0 0 0
4 15 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
S SKP 5
ID LBF12000BC08
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCC(C)CCCC(O)=O
M END
