-OEChem-03101014052D

 14 14  0     1  0  0  0  0  0999 V2000
  -52.0000   24.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   45.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   25.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0000   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   24.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -18.0000   24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -34.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0000  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.0000   44.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10374431

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
2423064176

> <PUBCHEM_SUBSTANCE_SYNONYM>
Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-
Mandelic acid, 4-hydroxy-3-methoxy-

> <PUBCHEM_XREF_EXT_ID>
2423064176

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
1245  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$