-OEChem-01131113492D

  9  8  0     1  0  0  0  0  0999 V2000
   -1.0717   -0.2062    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  9  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92298241

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Golm Metabolome Database (GMD), Max Planck Institute of Molecular Plant Physiology

> <PUBCHEM_EXT_DATASOURCE_REGID>
FF909059-FA51-40A0-8973-9E4ECFB8C92A

> <PUBCHEM_SUBSTANCE_SYNONYM>
Cysteinesulfinic acid
FF909059-FA51-40A0-8973-9E4ECFB8C92A

> <PUBCHEM_XREF_EXT_ID>
FF909059-FA51-40A0-8973-9E4ECFB8C92A

> <PUBCHEM_EXT_DATASOURCE_URL>
http://gmd.mpimp-golm.mpg.de/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/FF909059-FA51-40A0-8973-9E4ECFB8C92A.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
1549098  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
7  6  5

$$$$