-OEChem-05171211422D

 12 12  0     0  0  0  0  0  0999 V2000
    0.7145   -1.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240    1.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120    1.4409    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24870685

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
470813_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Acetylphenylboronic acid
470813_ALDRICH

> <PUBCHEM_XREF_EXT_ID>
470813_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/470813?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
2734310  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$