Mol:BMMCBZ2Pn041

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BMMCBZ2Pn041.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 14  0  0  0  0  0  0  0  0999 V2000 
    3.7321    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.4330    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0670    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3660    1.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3660    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
  2  1  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1 10  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  2  0  0  0  0 
 10 11  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Pn041 
NAME	4-Nitro-phenyl phosphate 
FORMULA	C6H6NO6P 
EXACTMASS	218.9932 
AVERAGEMASS	219.0887 
SMILES	[O-1][N+1](=O)c(c1)ccc(c1)OP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03360 
M  END
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