Mol:LBF11000BC03
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-2.9857 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1105 1.9981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1105 2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5746 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9857 2.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9857 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3734 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 -2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 4 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
1 7 1 0 0 0 0
2 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 LBF11000BC03
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCCCCCCCC(C)C(O)=O
M END
