Mol:LBF12000BC06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
0.0645 -1.0680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5287 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0645 -0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4853 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6943 1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2833 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0501 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1831 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4164 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 -1.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4853 -0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4853 -1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 4 0 0 0
1 5 1 0 0 0 0
4 12 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
2 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12000BC06
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCCCC(C)CC(O)=O
M END
