-OEChem-12071011232D

  6  5  0     0  0  0  0  0  0999 V2000
  635.5110  488.3970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  999.0000  488.3970    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  635.5110  851.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  635.5110  124.9080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  320.7510  306.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480  488.3970    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  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  1   2  -1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_SUBSTANCE_ID>
57390302

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
CPD-10434

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Alkanesulfonates

> <PUBCHEM_SUBSTANCE_SYNONYM>
CPD-10434
ethanesulfonate

> <PUBCHEM_XREF_EXT_ID>
CPD-10434

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD-10434

> <PUBCHEM_CID_ASSOCIATIONS>
3717105  1
11668  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$