Mol:LBF10206SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
1.8762 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4894 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2044 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4894 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8913 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5458 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2044 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2162 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6112 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6538 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2038 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
1 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
5 12 1 0 0 0 0
S SKP 5
ID LBF10206SC01
FORMULA C10H16O2
EXACTMASS 168.11502975599998
AVERAGEMASS 168.23283999999998
SMILES CCCCCC=CC=CC(O)=O
M END
