Mol:LBF13111BC02

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.6334    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7652    0.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479   -1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334    2.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6334    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606    2.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4 17  1  0  0  0  0
  3  6  1  4  0  0  0
  5  7  1  4  0  0  0
  1  8  1  0  0  0  0
  2 13  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
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  5 17  2  0  0  0  0
S  SKP  5
ID	LBF13111BC02
FORMULA	C15H28O2
EXACTMASS	240.20893013999998
AVERAGEMASS	240.38162
SMILES	CCCCCCCCC(C)CC=C(C)C(O)=O
M  END

</pre>