-OEChem-03311014132D

 10  9  0     0  0  0  0  0  0999 V2000
    7.8579    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7309    5.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5559    5.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85291409

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA01170080

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA01170080

> <PUBCHEM_XREF_EXT_ID>
LMFA01170080

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA01170080

> <PUBCHEM_CID_ASSOCIATIONS>
11701  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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