-OEChem-04131210272D

  9  8  0     0  0  0  0  0  0999 V2000
  666.0000  288.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  499.3840    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  288.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  499.3840  192.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  333.0000  288.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.3830  192.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  832.3830  192.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  166.3830    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  999.0000  288.4910    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>
2692

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
ETHYL-ACETOACETATE

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Compounds

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-oxobutanoic acid ethyl ester
acetoacetic acid, ethyl ester
active acetyl acetate
butanoic acid, 3-oxo-ethyl ester
diacetic ether
ethyl 3-oxobutanoate
ethyl 3-oxobutyrate
ethyl acetoacetate
ethyl acetylacetate
ethyl acetylacetonate
ethyl beta-ketobutyrate
ethyl-acetoacetate

> <PUBCHEM_XREF_EXT_ID>
ETHYL-ACETOACETATE

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=ETHYL-ACETOACETATE

> <PUBCHEM_CID_ASSOCIATIONS>
8868  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$