Mol:LBF15000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 0 0 0 0 0 0999 V2000
-3.3413 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9242 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5072 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7583 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1753 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5922 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0092 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4263 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1567 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7397 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3228 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9058 0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 -0.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7909 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7936 -1.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 0.2090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9242 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 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
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
2 18 1 0 0 0 0
S SKP 5
ID LBF15000BC01
FORMULA C16H32O2
EXACTMASS 256.240230268
AVERAGEMASS 256.42408
SMILES CC(C)CCCCCCCCCCCCC(O)=O
M END
