-OEChem-07191013252D

 16 18  0     0  0  0  0  0  0999 V2000
   25.8300  -20.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8600  -20.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3800  -16.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2800  -20.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6400  -18.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3800  -17.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1900  -18.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6400  -19.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1900  -19.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3800  -20.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8300  -17.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8600  -17.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0900  -19.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0200  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0200  -18.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5700  -15.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
51091844

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
D07521

> <PUBCHEM_SUBSTANCE_COMMENT>
Dermatological, melanizing
CAS: 484-20-8
NIKKAJI: J12.563F
Same as: C01557
ATC code: D05BA03

> <PUBCHEM_SUBSTANCE_SYNONYM>
484-20-8
Bergapten
Bergaptene
Bergaptene (DCF)
D07521
Pentaderm
Pentaderm (TN)

> <PUBCHEM_GENERIC_REGISTRY_NAME>
484-20-8

> <PUBCHEM_XREF_EXT_ID>
D07521

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?dr+D07521

> <PUBCHEM_CID_ASSOCIATIONS>
2355  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$