Mol:BMMCBZ1Sf036

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BMMCBZ1Sf036.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 11 11  0  0  0  0  0  0  0  0999 V2000
    3.7321   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
  4  3  1  0  0  0  0
  3  2  2  0  0  0  0
  2  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 10  2  0  0  0  0
S  SKP  7
ID	BMMCBZ1Sf036
NAME	Phenol sulfate
FORMULA	C6H6O4S
EXACTMASS	173.9986
AVERAGEMASS	174.1754
SMILES	c(c1)ccc(c1)OS(O)(=O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02180
M  END

</pre>

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