-OEChem-08271216092D

 18 19  0     0  0  0  0  0  0999 V2000
   25.5214  -14.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4983  -20.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9339  -19.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2978  -17.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2920  -18.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7277  -17.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5157  -16.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5040  -19.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7219  -18.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0858  -16.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0858  -19.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9339  -16.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8679  -17.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8679  -18.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1344  -17.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3464  -16.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5586  -17.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3464  -14.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
12552

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C10366

> <PUBCHEM_SUBSTANCE_SYNONYM>
84-79-7
C10366
Lapachol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
84-79-7

> <PUBCHEM_XREF_EXT_ID>
C10366

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C10366

> <PUBCHEM_CID_ASSOCIATIONS>
3884  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$