-OEChem-09021010382D

 18 19  0     1  0  0  0  0  0999 V2000
   18.3452  -14.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7799  -14.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7799  -17.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3452  -18.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9300  -17.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8609  -15.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5690  -15.4832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.5690  -16.8872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.3452  -17.5828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.1280  -16.8872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.1280  -15.4832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.7862  -13.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9300  -14.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5819  -12.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9971  -12.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5753  -11.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0100  -11.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7928  -10.5820    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>
5995

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C03097

> <PUBCHEM_SUBSTANCE_COMMENT>
ChEBI: 28749
generic compound in reaction hierarchy
Is a reactant or product of enzyme EC 2.4.1.35

> <PUBCHEM_SUBSTANCE_SYNONYM>
Aryl beta-D-glucoside
C03097

> <PUBCHEM_XREF_EXT_ID>
C03097

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C03097

> <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

$$$$