Mol:LBF11000BC10
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
-3.0525 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2629 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2629 2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6414 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0525 2.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0525 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2012 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6122 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2012 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6122 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2012 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6122 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2012 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6122 -2.9858 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
4 5 2 0 0 0 0
4 6 1 0 0 0 0
2 7 1 0 0 0 0
4 14 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
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
S SKP 5
ID LBF11000BC10
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CC(C)CCCCCCCCC(O)=O
M END
