Mol:LBF09101SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
1.5758 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 -0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1890 0.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3383 -0.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9762 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2467 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9040 -0.1987 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
7 8 1 0 0 0 0
1 5 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
S SKP 5
ID LBF09101SC01
FORMULA C9H16O2
EXACTMASS 156.11502975599998
AVERAGEMASS 156.22214
SMILES C=CCCCCCCC(O)=O
M END
