Mol:LBF08106SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.3200 -0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9332 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6482 -0.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9332 0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5775 -0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3723 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9910 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6482 -0.1787 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 LBF08106SC01
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CCCCCC=CC(O)=O
M END
