-OEChem-11021115572D

 10  9  0     0  0  0  0  0  0999 V2000
    0.1749    1.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749    0.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360   -1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120   -1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1360   -1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396    0.5654    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 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24898024

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
O5608_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
Aldehyde C8
Caprylic aldehyde
O5608_ALDRICH
Octanal
Octyl aldehyde

> <PUBCHEM_XREF_EXT_ID>
O5608_ALDRICH

> <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/ALDRICH/O5608?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
454  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$