-OEChem-01131113492D

  5  4  0     0  0  0  0  0  0999 V2000
    0.2792   -0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -2.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -1.5542    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>
841603

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BIND

> <PUBCHEM_EXT_DATASOURCE_REGID>
1150

> <PUBCHEM_SUBSTANCE_SYNONYM>
298-12-4
Acetic acid, oxo
Acetic acid, oxo- (9CI)
CCRIS 1455
Formic acid, formyl
Formylformic acid
Glyoxalic acid
Glyoxylic acid
Glyoxylic acid (8CI)
HSDB 5559
Oxalaldehydic acid
Oxoacetic acid
Oxoethanoic acid
acetic acid, oxo-
alpha-Ketoacetic acid
glyox
glyoxalate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
298-12-4

> <PUBCHEM_XREF_EXT_ID>
1150

> <PUBCHEM_PUBMED_ID>
11947489

> <PUBCHEM_EXT_DATASOURCE_URL>
http://bind.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bind.ca/Action?pg=3001&butval=search&identifier=smallmoleculeid&searchterm=1150

> <PUBCHEM_CID_ASSOCIATIONS>
760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$