-OEChem-06111213162D

  6  5  0     0  0  0  0  0  0999 V2000
    0.7648    0.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648   -0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549   -0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7649    0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7848    0.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848   -0.4416    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>
24852432

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
20710_FLUKA

> <PUBCHEM_SUBSTANCE_SYNONYM>
20710_FLUKA
Butanal
Butyraldehyde

> <PUBCHEM_XREF_EXT_ID>
20710_FLUKA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/FLUKA/20710?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
261  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$