-OEChem-06111213162D

  6  5  0     0  0  0  0  0  0999 V2000
    7.5014   -2.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5096   -3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7944   -3.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873   -3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3720   -3.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2241   -3.8772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  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>
8143357

> <PUBCHEM_SUBSTANCE_VERSION>
12

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:15743

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Butanal
Aldehyde butyrique
Aldeide butirrica
Butal
Butaldehyde
Butanaldehyde
Butyl aldehyde
Butylaldehyde
Butyral
Butyraldehyd
Butyric aldehyde
Butyrylaldehyde
CHEBI:15743
butan-1-al
butanal
n-Butanal
n-Butyl aldehyde
n-Butyraldehyde
n-C3H7CHO

> <PUBCHEM_XREF_EXT_ID>
CHEBI:15743

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15743

> <PUBCHEM_CID_ASSOCIATIONS>
261  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$