-OEChem-05031011032D

 13 13  0     1  0  0  0  0  0999 V2000
    1.0717   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3572    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0717   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  1  0  0  0
 10  4  1  6  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
92298407

> <PUBCHEM_SUBSTANCE_VERSION>
2

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

> <PUBCHEM_EXT_DATASOURCE_REGID>
6A797581-AC95-4A84-9F74-C05E5465011A

> <PUBCHEM_SUBSTANCE_SYNONYM>
6A797581-AC95-4A84-9F74-C05E5465011A
Sequoyitol

> <PUBCHEM_XREF_EXT_ID>
6A797581-AC95-4A84-9F74-C05E5465011A

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://gmd.mpimp-golm.mpg.de/Metabolites/6A797581-AC95-4A84-9F74-C05E5465011A.aspx

> <PUBCHEM_CID_ASSOCIATIONS>
439990  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
8  2  5
9  3  5
10  4  6
11  5  6

$$$$