Mol:BMMCACENp001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 11  0  0  1  0  0  0  0  0999 V2000 
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  5  1  0  0  0  0 
  4  5  1  4  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  3 11  2  0  0  0  0 
  4  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
S  SKP  7 
ID	BMMCACENp001 
NAME	(-)-Isoperitenone 
FORMULA	C10H14O 
EXACTMASS	150.1044 
AVERAGEMASS	150.2175 
SMILES	CC(C1)=CC(=O)C(C1)C(C)=C 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02485 
M  END