-OEChem-09021010392D

 18 19  0     1  0  0  0  0  0999 V2000
 -288.1050  576.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  162.5990  576.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  162.5990   55.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -288.1050 -204.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -738.7780   55.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -999.0000  576.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -62.7371  446.0990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  -62.7371  185.8770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
 -288.1050   55.7664    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
 -513.4730  185.8770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
 -513.4730  446.0990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  413.9580  508.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -738.7780  576.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  639.2940  638.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  413.9580  248.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  864.6620  508.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  639.2940  118.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  864.6620  248.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  1  0  0  0
  2 12  1  0  0  0  0
  8  3  1  6  0  0  0
  9  4  1  1  0  0  0
 10  5  1  6  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
84974700

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
CPD0-1667

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Compounds

> <PUBCHEM_SUBSTANCE_SYNONYM>
CPD0-1667
phenyl-beta-D-glucoside

> <PUBCHEM_XREF_EXT_ID>
CPD0-1667

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD0-1667

> <PUBCHEM_CID_ASSOCIATIONS>
65080  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
11  13  5
7  2  5
8  3  6
9  4  5
10  5  6

$$$$