-OEChem-11021115572D

  9  8  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  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>
14709467

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
UM-BBD

> <PUBCHEM_EXT_DATASOURCE_REGID>
c0046

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Caprylaldehyde
1-Octaldehyde
1-Octanal
1-Octylaldehyde
Aldehyde C8
Caprylaldehyde
Caprylic aldehyde
Octanal
c0046
n-Octaldehyde
n-Octanal
n-Octyl Aldehyde

> <PUBCHEM_XREF_EXT_ID>
c0046

> <PUBCHEM_PUBMED_ID>
1453953
2647719

> <PUBCHEM_EXT_DATASOURCE_URL>
http://umbbd.msi.umn.edu

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://umbbd.msi.umn.edu/servlets/pageservlet?ptype=c&compID=c0046

> <PUBCHEM_CID_ASSOCIATIONS>
454  1

$$$$