Mol:LBF12000BC04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
-3.3646 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4259 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4259 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7823 -0.0014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7823 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6366 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9521 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3646 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3646 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3997 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6858 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8608 -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
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
9 10 2 0 0 0 0
9 11 1 0 0 0 0
4 12 1 0 0 0 0
9 13 1 0 0 0 0
12 13 1 0 0 0 0
1 14 1 0 0 0 0
2 16 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
S SKP 5
ID LBF12000BC04
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCC(C)CCCC(C)CCC(O)=O
M END
