Mol:LBF08106SC02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.0588 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6720 -0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3870 -0.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6720 0.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5363 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0413 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5748 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1729 -0.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7875 -0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3870 -0.6442 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
1 5 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
8 9 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 5
ID LBF08106SC02
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CCCCCC=CC(O)=O
M END
