-OEChem-09021010392D

 18 19  0     1  0  0  0  0  0999 V2000
   15.6154  -12.4496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0464  -12.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0464  -14.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6154  -14.9392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1740  -14.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4568  -12.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3292  -12.8668    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.3292  -13.6978    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.6154  -14.1082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8947  -13.6978    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8947  -12.8668    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7602  -12.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1740  -12.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7602  -13.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4775  -12.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4775  -14.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1913  -12.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1913  -13.6875    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>
13776

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C11611

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 1464-44-4
NIKKAJI: J149.732D

> <PUBCHEM_SUBSTANCE_SYNONYM>
1464-44-4
C11611
Phenyl beta-D-glucopyranoside
Phenylglucoside

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1464-44-4

> <PUBCHEM_XREF_EXT_ID>
C11611

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C11611

> <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

$$$$