Mol:LBF08104SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.2471 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5754 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0481 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7329 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3929 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5754 -0.0791 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 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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 LBF08104SC01
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CCCC=CCCC(O)=O
M END
