-OEChem-10191113482D

 11 10  0     1  0  0  0  0  0999 V2000
   10.0014    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0014    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85291379

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA01100056

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA01100056

> <PUBCHEM_XREF_EXT_ID>
LMFA01100056

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA01100056

> <PUBCHEM_CID_ASSOCIATIONS>
69522  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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