-OEChem-05031011032D

 13 13  0     1  0  0  0  0  0999 V2000
   -1.3345    0.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    1.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172   -0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5414    0.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -1.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   -0.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6103    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    0.7034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6034   -0.5517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8276    0.2931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1207   -0.9552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8345   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414    1.5138    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  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
 12  6  1  1  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>
8589

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06353

> <PUBCHEM_SUBSTANCE_COMMENT>
ChEBI: 28762
Is a reactant or product of enzyme EC 2.1.1.129

> <PUBCHEM_SUBSTANCE_SYNONYM>
1D-6-O-Methyl-myo-inositol
6-O-Methyl-myo-inositol
C06353

> <PUBCHEM_XREF_EXT_ID>
C06353

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C06353

> <PUBCHEM_CID_ASSOCIATIONS>
439990  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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

$$$$