-OEChem-05191010092D

  9  8  0     0  0  0  0  0  0999 V2000
    8.3529    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0674    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3529    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    5.2475    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  2  0  0  0  0
  5  9  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>
85291445

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA01170116

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA01170116

> <PUBCHEM_XREF_EXT_ID>
LMFA01170116

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA01170116

> <PUBCHEM_CID_ASSOCIATIONS>
638129  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$