-OEChem-05171211432D

 16 16  0     0  0  0  0  0  0999 V2000
   12.4934   -8.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9616  -10.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1105   -7.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7276   -8.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1105   -9.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3446   -9.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3446   -9.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1105   -9.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7276  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7276   -8.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0591   -8.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3960  -10.2735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7276  -11.0422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4420   -7.6672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4935   -7.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9616  -11.0422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126524988

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB04062

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,5-Dihydroxybenzaldehyde polymer
2,5-dihydroxybenzaldehyde
Gentisaldehyde
Gentisate aldehyde
HMDB04062

> <PUBCHEM_XREF_EXT_ID>
HMDB04062

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB04062

> <PUBCHEM_CID_ASSOCIATIONS>
70949  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$