Mol:LBF11000BC08
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
-4.6125 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9975 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2971 1.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2971 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3706 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2014 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6125 1.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6125 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7612 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
3 4 1 4 0 0 0
2 5 1 0 0 0 0
3 5 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
6 14 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 LBF11000BC08
FORMULA C12H24O2
EXACTMASS 200.17763001199998
AVERAGEMASS 200.31776
SMILES CCCC(C)CCCCCCC(O)=O
M END
