-OEChem-05031011032D

 13 13  0     1  0  0  0  0  0999 V2000
   -1.7402  -15.3196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676  -16.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7393  -13.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5887  -15.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676  -12.8460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897  -13.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4508  -14.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1664  -15.3186    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4508  -14.0823    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8776  -14.9081    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1664  -13.6672    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8776  -14.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0285  -14.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 13  1  0  0  0  0
  8  2  1  6  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  1  0  0  0
 12  6  1  6  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>
87288707

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:588262

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-O-Methyl-scyllo-inositol
CHEBI:588262

> <PUBCHEM_XREF_EXT_ID>
CHEBI:588262

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:588262

> <PUBCHEM_CID_ASSOCIATIONS>
439990  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
7  1  5
8  2  6
9  3  6
10  4  5
11  5  5
12  6  6

$$$$