-OEChem-05031011032D

 13 13  0     1  0  0  0  0  0999 V2000
   20.1678  -13.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1678  -16.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7624  -12.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7624  -17.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3826  -13.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3826  -16.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9778  -14.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9778  -15.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7689  -13.4218    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7689  -16.2069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.5726  -14.1118    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.5726  -15.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5161  -14.3080    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  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>
6202

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C03365

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 523-92-2
ChEBI: 15975
KNApSAcK: C00001172
Is a reactant or product of enzyme EC 1.1.1.143

> <PUBCHEM_SUBSTANCE_SYNONYM>
1D-5-O-Methyl-myo-inositol
5-O-Methyl-myo-inositol
523-92-2
C03365
Sequoyitol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
523-92-2

> <PUBCHEM_XREF_EXT_ID>
C03365

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C03365

> <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  5

$$$$