-OEChem-01131113482D

 14 13  0     1  0  0  0  0  0999 V2000
   -0.0907   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419    0.5014    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7757    1.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -1.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995    0.4626    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0907    0.5014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9569    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3385    1.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6419   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10486826

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
1927145859

> <PUBCHEM_SUBSTANCE_SYNONYM>
Acetylcarnitine

> <PUBCHEM_XREF_EXT_ID>
1927145859

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
1  1
2  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$