-OEChem-04131210272D

  9  8  0     0  0  0  0  0  0999 V2000
   28.2813  -16.0517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0710  -13.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6435  -13.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0710  -15.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8539  -16.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6435  -15.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4924  -15.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4329  -16.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7049  -16.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
6312

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C03500

> <PUBCHEM_SUBSTANCE_SYNONYM>
141-97-9
C03500
Ethyl 3-oxobutanoate
Ethyl acetoacetate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
141-97-9

> <PUBCHEM_XREF_EXT_ID>
C03500

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C03500

> <PUBCHEM_CID_ASSOCIATIONS>
8868  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$