-OEChem-06231013072D

 11 11  0     0  0  0  0  0  0999 V2000
  796.2060 -583.8840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  906.4500 -514.4710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  857.4520 -694.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  724.0710 -469.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  695.4890 -775.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  695.4890 -662.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  793.4840 -831.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  598.8560 -831.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  793.4840 -943.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  598.8560 -943.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  695.4890 -999.0000    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>
57394255

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
CPD-5541

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Compounds

> <PUBCHEM_SUBSTANCE_SYNONYM>
CPD-5541
PMSF
phenylmethanesulfonyl fluoride

> <PUBCHEM_XREF_EXT_ID>
CPD-5541

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD-5541

> <PUBCHEM_CID_ASSOCIATIONS>
4784  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$