-OEChem-06231013072D

 11 11  0     0  0  0  0  0  0999 V2000
   -1.1793   -0.2414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    0.3448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -0.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5966    0.3448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8968

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06747

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 329-98-6
ChEBI: 8102
Is a reactant or product of enzyme EC 3.5.1.85

> <PUBCHEM_SUBSTANCE_SYNONYM>
329-98-6
Benzenemethanesulfonyl fluoride
C06747
PMSF
Phenylmethanesulfonyl fluoride

> <PUBCHEM_GENERIC_REGISTRY_NAME>
329-98-6

> <PUBCHEM_XREF_EXT_ID>
C06747

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C06747

> <PUBCHEM_CID_ASSOCIATIONS>
4784  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$