-OEChem-04131210272D

  9  8  0     0  0  0  0  0  0999 V2000
   -9.0000  -15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000  -15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0000   15.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   26.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   45.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.0000  -15.0000    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>
10328044

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
2817390235

> <PUBCHEM_SUBSTANCE_SYNONYM>
Acetoacetic acid, ethyl ester
Butanoic acid, 3-oxo-, ethyl ester

> <PUBCHEM_XREF_EXT_ID>
2817390235

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
8868  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$