Mol:LBF12000BC05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
0.5490 0.9301 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5490 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0009 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0103 0.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4213 1.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4213 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0009 -1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1788 -1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7677 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9456 -1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5345 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2876 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6987 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5209 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9319 0.9301 0.0000 C 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
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
3 15 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
S SKP 5
ID LBF12000BC05
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCCCCC(C)C(O)=O
M END
