-OEChem-10201113242D

  9  9  0     0  0  0  0  0  0999 V2000
    6.9001   -2.5433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4901   -1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4344   -4.9014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1895   -2.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4732   -2.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406   -4.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1752   -3.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7480   -2.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7564   -3.7715    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  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8145623

> <PUBCHEM_SUBSTANCE_VERSION>
18

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:16971

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:16971
benzene-1,2,4-triol

> <PUBCHEM_XREF_EXT_ID>
CHEBI:16971

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16971

> <PUBCHEM_CID_ASSOCIATIONS>
10787  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$