-OEChem-06231013072D

 14 15  0     0  0  0  0  0  0999 V2000
    0.7655    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1207    0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3897    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8310    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  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 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
11209

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C09017

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 17598-02-6
ChEBI: 8368
KNApSAcK: C00002439
3DMET: B02616

> <PUBCHEM_SUBSTANCE_SYNONYM>
17598-02-6
C09017
Precocene 1
Precocene I

> <PUBCHEM_GENERIC_REGISTRY_NAME>
17598-02-6

> <PUBCHEM_XREF_EXT_ID>
C09017

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C09017

> <PUBCHEM_CID_ASSOCIATIONS>
28619  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$