Mol:BMCCNP--q001

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BMCCNP--q001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 15  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   -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  0  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
    7.1962   -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  8  2  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5 10  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
  4  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  1  2  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
S  SKP  7
ID	BMCCNP--q001
NAME	1,3,6,8-Tetrahydroxy-naphthalene
FORMULA	C10H8O4
EXACTMASS	192.0422
AVERAGEMASS	192.1681
SMILES	Oc(c2)cc(c1)c(c(O)2)c(O)cc(O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04033
M  END

</pre>

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