Mol:LBF13000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
0.6297 -1.4240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6297 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1644 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7533 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9312 1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5201 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6980 0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2869 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5352 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9463 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7684 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0910 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5021 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5021 -2.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
3 13 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 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
12 13 1 0 0 0 0
1 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
S SKP 5
ID LBF13000BC03
FORMULA C14H28O2
EXACTMASS 228.20893013999998
AVERAGEMASS 228.37091999999998
SMILES CCCCCCCCCCCC(C)C(O)=O
M END
