-OEChem-05031011042D

 11 11  0     0  0  0  0  0  0999 V2000
    1.0700   -2.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -0.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -0.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -3.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -3.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -3.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0700   -5.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87692247

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20202484

> <PUBCHEM_SUBSTANCE_SYNONYM>
InChI=1/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
LCPDWSOZIOUXRV-UHFFFAOYSA-

> <PUBCHEM_XREF_EXT_ID>
20202484

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20202484

> <PUBCHEM_CID_ASSOCIATIONS>
19188  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$