Mol:LBF08106BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
-1.7425 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1261 0.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2939 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1699 -0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4689 0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5062 0.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5062 -0.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5062 0.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7425 -0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 4 1 0 0 0 0
3 6 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
6 10 1 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
S SKP 5
ID LBF08106BC01
FORMULA C10H18O2
EXACTMASS 170.13067981999998
AVERAGEMASS 170.24872
SMILES CC(C)CCCC(C)=CC(O)=O
M END
