Mol:BMXXSX--0021

 
 
Copyright: ARM project http://www.metabolome.jp/ 
  8  7  0  0  0  0  0  0  0  0999 V2000 
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  7  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  6  5  1  0  0  0  0 
  5  4  1  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
S  SKP  6 
NAME	Octane 
ID	BMXXSX--0021 
FORMULA	C8H18 
EXACTMASS	114.14085057599999 
AVERAGEMASS	114.22852 
SMILES	CCCCCCCC 
M  END