-OEChem-10191113482D

  7  6  0     1  0  0  0  0  0999 V2000
    7.1435    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.8251    0.0000 C   0  0  3  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
    5.7145    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    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  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
85291377

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA01100054

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA01100054

> <PUBCHEM_XREF_EXT_ID>
LMFA01100054

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA01100054

> <PUBCHEM_CID_ASSOCIATIONS>
64956  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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