-OEChem-03131213512D

 13 13  0     0  0  0  0  0  0999 V2000
  -43.0000   19.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   50.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0000   49.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0000    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000  -21.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   19.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0000    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0000  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   40.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0000   19.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -43.0000  -21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10428690

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST

> <PUBCHEM_EXT_DATASOURCE_REGID>
3516572156

> <PUBCHEM_SUBSTANCE_SYNONYM>
4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
Isonicotinic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-

> <PUBCHEM_XREF_EXT_ID>
3516572156

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nist.gov/srd/nist1a.htm

> <PUBCHEM_CID_ASSOCIATIONS>
6723  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$