Mol:BMMCAS--q005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 17  0  0  0  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   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    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
    4.5981    1.0000    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
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
 13  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  6  5  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 12 11  2  0  0  0  0
  9 10  2  0  0  0  0
  5  4  1  0  0  0  0
 11 10  1  0  0  0  0
S  SKP  7
ID	BMMCAS--q005
NAME	2,2',3-Trihydroxy-diphenyl-ether
FORMULA	C12H10O4
EXACTMASS	218.0579
AVERAGEMASS	218.2054
SMILES	Oc(c2)c(ccc2)Oc(c1)c(O)c(O)cc1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C07733
M  END

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