-OEChem-09021010382D

 12 12  0     1  0  0  0  0  0999 V2000
   -2.2442    0.2128    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963   -0.4003    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    1.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -0.1227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4906   -0.1227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5768   -0.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3838   -1.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -0.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3673   -0.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92298578

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology

> <PUBCHEM_EXT_DATASOURCE_REGID>
4BFBE47A-76FD-447C-883B-E049423E6511

> <PUBCHEM_SUBSTANCE_SYNONYM>
4BFBE47A-76FD-447C-883B-E049423E6511
Lipoamide, alpha-

> <PUBCHEM_XREF_EXT_ID>
4BFBE47A-76FD-447C-883B-E049423E6511

> <PUBCHEM_EXT_DATASOURCE_URL>
http://gmd.mpimp-golm.mpg.de/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/4BFBE47A-76FD-447C-883B-E049423E6511.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
863  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$