Mol:LBF08103SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
10 9 0 0 0 0 0 0 0 0999 V2000
1.1234 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7366 -0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 -0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7366 0.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6009 -0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0756 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6916 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4080 -0.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9016 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4516 -0.1341 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 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 5
ID LBF08103SC01
FORMULA C8H14O2
EXACTMASS 142.09937969199999
AVERAGEMASS 142.19556
SMILES CCC=CCCCC(O)=O
M END
