Mol:LBF11000BC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 0 0 0 0 0 0999 V2000
-2.1746 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7576 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3406 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5916 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0086 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4256 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1574 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7576 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3234 -0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9064 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6269 -1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3406 0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
4 1 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
2 8 1 0 0 0 0
7 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
12 14 2 0 0 0 0
S SKP 5
ID LBF11000BC01
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CC(C)CCCCCCCCC(O)=O
M END
