-OEChem-04091015002D

 10 10  0     0  0  0  0  0  0999 V2000
    1.0700   -4.7300    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -0.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -0.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -2.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -2.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -3.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
22389307

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20096869

> <PUBCHEM_SUBSTANCE_SYNONYM>
456-22-4
InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10

> <PUBCHEM_GENERIC_REGISTRY_NAME>
456-22-4

> <PUBCHEM_XREF_EXT_ID>
20096869

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20096869

> <PUBCHEM_CID_ASSOCIATIONS>
9973  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$