-OEChem-03131213512D

 22 22  0     0  0  0  0  0  0999 V2000
   -1.7864    0.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -0.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558    1.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    1.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558   -1.4434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715    0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -1.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7848   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835    0.9361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4581    0.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731   -1.4420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -0.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989   -1.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -2.1589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -1.0288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    2.2698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4 13  2  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
126522954

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
811

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMDB00017

> <PUBCHEM_SUBSTANCE_COMMENT>
Biofluids: Blood, Urine

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinate
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid
3-Hydroxy-5-hydroxymethyl-2-methyl-isonicotinsaeure
3-hydroxy-5-(hydroxymethyl)-2-methyl-Isonicotinate
3-hydroxy-5-(hydroxymethyl)-2-methyl-Isonicotinic acid
3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinate
3-hydroxy-5-hydroxymethyl-2-methyl-isonicotinic acid
4-Pyridoxate
4-Pyridoxic acid
4-Pyridoxinate
4-Pyridoxinecarboxylate
4-Pyridoxinecarboxylic acid
4-Pyridoxinic acid
4-Pyridoxinsaeure
4-Pyridoxylate
4-Pyridoxylic acid
HMDB00017

> <PUBCHEM_XREF_EXT_ID>
HMDB00017

> <PUBCHEM_PUBMED_ID>
1742549
8279138
12001008
12368406
12638029
15447904
15450810
15975484
15976101
16054880
16277678

> <PUBCHEM_EXT_DATASOURCE_URL>
http://hmdb.ca

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://hmdb.ca/metabolites/HMDB00017

> <PUBCHEM_CID_ASSOCIATIONS>
6723  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$