-OEChem-05031011042D

 11 11  0     0  0  0  0  0  0999 V2000
   57.0000   28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   91.0000   48.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  108.0000   18.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0000   18.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   75.0000   18.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000   35.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   91.0000   27.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   35.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.0000    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>
10505842

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
1317314233

> <PUBCHEM_SUBSTANCE_SYNONYM>
Acetic acid, phenoxy-
Glycolic acid, phenyl ether

> <PUBCHEM_XREF_EXT_ID>
1317314233

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C8H8O3/c9-8%2810%296-11-7-4-2-1-3-5-7/h1-5H%2C6H2%2C%28H%2C9%2C10%29%0A

> <PUBCHEM_CID_ASSOCIATIONS>
19188  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$