-OEChem-11021115572D

  9  8  0     0  0  0  0  0  0999 V2000
 -999.0000  566.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -250.2280  709.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757  566.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -498.5450  566.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  250.2280  709.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -746.8970  709.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  498.5450  566.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  746.8970  709.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  995.2490  566.2770    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>
2388

> <PUBCHEM_SUBSTANCE_VERSION>
9

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
CPD-371

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: n-Alkanals
Is a reactant of enzyme EC 1.2.1.3
Is a product of enzyme EC 1.1.1.73
Is a product of enzyme EC 1.1.99.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Caprylaldehyde
1-Octaldehyde
1-Octylaldehyde
1-octanal
124-13-0
CPD-371
n-octanal
octanal

> <PUBCHEM_GENERIC_REGISTRY_NAME>
124-13-0

> <PUBCHEM_XREF_EXT_ID>
CPD-371

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD-371

> <PUBCHEM_CID_ASSOCIATIONS>
454  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$