Mol:LBF10206SC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 0 0 0 0 0 0999 V2000
1.8996 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5128 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2278 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5128 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2629 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9174 -0.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5761 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5754 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2278 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9371 -0.6291 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
5 8 1 0 0 0 0
9 8 1 0 0 0 0
7 10 1 0 0 0 0
1 11 2 0 0 0 0
11 12 1 0 0 0 0
12 9 2 0 0 0 0
S SKP 5
ID LBF10206SC03
FORMULA C10H16O2
EXACTMASS 168.11502975599998
AVERAGEMASS 168.23283999999998
SMILES CCCCCC=CC=CC(O)=O
M END
