Mol:BMCCNP--q011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 14  0  0  1  0  0  0  0  0999 V2000 
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    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 
    3.7321    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7  6  2  0  0  0  0 
  6  5  1  0  0  0  0 
  5 10  2  0  0  0  0 
 10  9  1  0  0  0  0 
  9  8  2  0  0  0  0 
  8  7  1  0  0  0  0 
 10  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 
  1  9  1  0  0  0  0 
  8 13  1  0  0  0  0 
  1 11  2  0  0  0  0 
  3 12  1  4  0  0  0 
S  SKP  7 
ID	BMCCNP--q011 
NAME	Vermelone 
FORMULA	C10H10O3 
EXACTMASS	178.0629 
AVERAGEMASS	178.1846 
SMILES	OC(C1)Cc(c2)c(c(O)cc2)C(=O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01624 
M  END