-OEChem-05031011032D

 13 13  0     1  0  0  0  0  0999 V2000
  806.0820  698.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  806.0820  232.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  403.0410  930.7450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  403.0410    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  698.0590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  232.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  604.4200  581.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  604.4200  349.1710    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  403.0410  698.0590    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  403.0410  232.6860    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  201.3800  581.5750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  201.3800  349.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  999.0000  568.0370    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>
57391170

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
5-O-METHYL-MYO-INOSITOL

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Methyl-Inositols
Is a product of enzyme EC 1.1.1.143
Is a reactant of enzyme EC 2.4.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1D-5-O-methyl-myo-inositol
5-O-methyl-myo-inositol
523-92-2
sequoyitol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
523-92-2

> <PUBCHEM_XREF_EXT_ID>
5-O-METHYL-MYO-INOSITOL

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=5-O-METHYL-MYO-INOSITOL

> <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

$$$$