-OEChem-10201113242D

  9  9  0     0  0  0  0  0  0999 V2000
   20.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   34.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   79.0000   34.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0000   34.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.0000   34.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.0000   17.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0000   51.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.0000   51.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10525711

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
1529960672

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,4-Benzenetriol
1,3,4-Benzenetriol

> <PUBCHEM_XREF_EXT_ID>
1529960672

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C6H6O3/c7-4-1-2-5%288%296%289%293-4/h1-3%2C7-9H%0A

> <PUBCHEM_CID_ASSOCIATIONS>
10787  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$