Mol:LBF12000BC13
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-4.3322 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9566 1.6015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5484 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9566 2.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3039 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8928 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3039 0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8928 -0.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3039 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8928 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3039 -2.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9211 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3322 2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3322 0.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
2 4 1 4 0 0 0
3 5 1 0 0 0 0
1 6 1 0 0 0 0
2 12 1 0 0 0 0
6 7 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
5 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12000BC13
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCCCCCC(C)CCC(O)=O
M END
