-OEChem-05031011032D

 13 13  0     1  0  0  0  0  0999 V2000
    0.0448   -1.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517   -0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.6483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0483   -0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.2345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7069   -0.2345    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6000    0.5241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7069    0.5241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0483    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -1.7414    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>
7579

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C05163

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-O-Methyl-scyllo-inositol
C05163
O-Methyl-scyllo-inositol

> <PUBCHEM_XREF_EXT_ID>
C05163

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C05163

> <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

$$$$