Mol:BMMCBZ1Se015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 13  0  0  0  0  0  0  0  0999 V2000 
    3.7321    0.0000    0.0000 C   0  0  0  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 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    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 
    2.8660    0.5000    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 
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8301    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8301   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  7  1  0  0  0  0 
  6  5  2  0  0  0  0 
  7  8  2  0  0  0  0 
  5  4  1  0  0  0  0 
  7  9  1  0  0  0  0 
  4  3  2  0  0  0  0 
  9 10  1  0  0  0  0 
  3  2  1  0  0  0  0 
 10 11  1  0  0  0  0 
  2  1  2  0  0  0  0 
 10 12  2  0  0  0  0 
  1  6  1  0  0  0  0 
 10 13  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ1Se015 
NAME	Phosphono benzoic acid 
CAS_RN	6659-26-3 
FORMULA	C7H7O5P 
EXACTMASS	202.0031 
AVERAGEMASS	202.1012 
SMILES	O=C(c(c1)cccc1)OP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C06206 
M  END