-OEChem-02171214072D

 18 17  0     0  0  0  0  0  0999 V2000
   -3.3235   -1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4037   -0.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5936   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3530    1.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571    1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7271    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -1.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8073   -0.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175   -0.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1575   -0.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677   -0.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078    0.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
103636869

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEMBL

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEMBL453509

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:28716
CHEMBL453509
PALMITOLEIC ACID

> <PUBCHEM_XREF_EXT_ID>
CHEMBL453509

> <PUBCHEM_EXT_DATASOURCE_URL>
https://www.ebi.ac.uk/chembldb

> <PUBCHEM_EXT_SUBSTANCE_URL>
https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL453509

> <PUBCHEM_CID_ASSOCIATIONS>
445638  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$