Mol:LBF19000BC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
-2.7019 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7631 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6418 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2293 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 -0.7145 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
1 6 1 0 0 0 0
2 7 1 0 0 0 0
6 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
2 11 1 0 0 0 0
4 13 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
S SKP 5
ID LBF19000BC02
FORMULA C11H22O2
EXACTMASS 186.16197994799998
AVERAGEMASS 186.29118
SMILES CCCC(C)CCCC(C)C(O)=O
M END
