-OEChem-01131113492D

  5  4  0     0  0  0  0  0  0999 V2000
   13.5262    2.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2406    0.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0974    1.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5262    1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8118    0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
99365053

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:744084

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:744084

> <PUBCHEM_XREF_EXT_ID>
CHEBI:744084

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:744084

> <PUBCHEM_CID_ASSOCIATIONS>
760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$