Mol:LBF12000BC11
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
-0.4250 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4250 2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9871 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6770 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0414 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4539 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0414 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4539 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5746 1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9871 2.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9871 0.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 4 0 0 0
1 4 1 0 0 0 0
3 6 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 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
12 11 1 4 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
S SKP 5
ID LBF12000BC11
FORMULA C13H26O2
EXACTMASS 214.19328007599998
AVERAGEMASS 214.34433999999996
SMILES CCCCC(C)CCCCCCC(O)=O
M END
