Mol:LBF12000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
-2.7019 1.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7631 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4451 1.0704 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.4451 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0619 1.0717 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
-1.4355 1.0717 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
-1.4355 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0230 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4355 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2894 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 1.7862 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
2 3 1 4 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 8 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
2 13 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
4 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF12000BC03
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCC(C)CCCC(C)C(O)=O
M END
