Mol:LBF13101SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 0 0 0 0 0 0999 V2000
2.9439 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5571 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2721 -0.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5571 0.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3389 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7064 -0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0546 -0.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3919 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8786 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5359 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2082 -0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9067 -0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5764 -0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2721 -0.2317 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 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
S SKP 5
ID LBF13101SC01
FORMULA C13H24O2
EXACTMASS 212.17763001199998
AVERAGEMASS 212.32845999999998
SMILES C=CCCCCCCCCCCC(O)=O
M END
