Mol:LBF12102SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
2.5960 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9242 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 0.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9910 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3585 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0440 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5926 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2265 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5561 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2546 -0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9242 -0.6731 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
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
1 5 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
11 12 1 0 0 0 0
10 11 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
S SKP 5
ID LBF12102SC01
FORMULA C12H22O2
EXACTMASS 198.16197994799998
AVERAGEMASS 198.30187999999998
SMILES CC=CCCCCCCCCC(O)=O
M END
