-OEChem-08271216092D

 13 14  0     0  0  0  0  0  0999 V2000
   29.5162  -18.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6703  -17.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7578  -15.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9362  -18.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3325  -17.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3849  -16.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9765  -17.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9532  -15.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1020  -18.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1894  -15.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6153  -15.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8167  -17.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7991  -16.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
11454

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C09263

> <PUBCHEM_SUBSTANCE_SYNONYM>
305-01-1
Aesculetin
C09263
Esculetin

> <PUBCHEM_GENERIC_REGISTRY_NAME>
305-01-1

> <PUBCHEM_XREF_EXT_ID>
C09263

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C09263

> <PUBCHEM_CID_ASSOCIATIONS>
5281416  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$