-OEChem-09021010382D

 12 12  0     1  0  0  0  0  0999 V2000
    6.0799    5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2549    5.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072    7.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6218    5.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3348    5.7846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6674    6.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0493    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7638    5.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4783    6.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1927    5.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072    6.1971    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>
85291984

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA08010006

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA08010006
Lipoamide; Thioctamide; Thioctic acid amide; alpha-lipoic acid amide; lipoamide; vitamin N

> <PUBCHEM_XREF_EXT_ID>
LMFA08010006

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA08010006

> <PUBCHEM_CID_ASSOCIATIONS>
863  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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