-OEChem-06111213162D

  5  4  0     0  0  0  0  0  0999 V2000
    3.0208   -3.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4458   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1583   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708   -3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  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>
3288060

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
BIND

> <PUBCHEM_EXT_DATASOURCE_REGID>
525

> <PUBCHEM_SUBSTANCE_COMMENT>
Boehringer-Mannheim Biochemical Pathway - Quadrant # L3

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Butanal
123-72-8
Butal
Butaldehyde
Butalyde
Butanaldehyde
Butylaldehyde
Butyral
Butyric aldehyde
butanal
n-Butyraldehyde

> <PUBCHEM_GENERIC_REGISTRY_NAME>
123-72-8

> <PUBCHEM_XREF_EXT_ID>
525

> <PUBCHEM_EXT_DATASOURCE_URL>
http://bind.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.bind.ca/Action?pg=3001&butval=search&identifier=smallmoleculeid&searchterm=525

> <PUBCHEM_CID_ASSOCIATIONS>
261  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$