Mol:LBF18000BC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 20 0 0 1 0 0 0 0 0999 V2000
-4.2158 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.7988 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3817 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6328 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0498 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4667 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3008 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1348 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4483 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0313 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6156 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1986 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3646 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9476 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6639 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3817 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6626 1.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2158 -1.0319 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
15 14 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
1 21 1 4 0 0 0
S SKP 5
ID LBF18000BC02
FORMULA C19H38O2
EXACTMASS 298.28718046
AVERAGEMASS 298.50382
SMILES CCC(C)CCCCCCCCCCCCCCC(O)=O
M END
