Mol:LBF11000BC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-2.7019 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7631 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 0.3559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4355 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0230 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1980 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2145 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
4 5 1 4 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
2 12 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 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 LBF11000BC02
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCC(C)CCCC(C)C(O)=O
M END
