Mol:LBF14000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
-3.0498 -0.2069 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6327 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2157 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4668 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
-1.3007 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7177 -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
0.4482 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0312 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6143 -0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1973 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0498 -1.0319 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
3.4980 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2157 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4966 1.0319 0.0000 O 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
1 13 1 4 0 0 0
12 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
S SKP 5
ID LBF14000BC01
FORMULA C15H30O2
EXACTMASS 242.22458020399998
AVERAGEMASS 242.3975
SMILES CCC(C)CCCCCCCCCCC(O)=O
M END
