Mol:LBF12000BC07
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-0.8099 0.5741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6542 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8099 1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3598 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2811 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3598 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3598 -0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4088 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4133 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8244 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0576 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8797 -0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2908 0.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 4 0 0 0
5 2 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
1 9 1 0 0 0 0
4 15 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
14 15 1 0 0 0 0
S SKP 5
ID LBF12000BC07
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCCC(C)CCC(O)=O
M END
