-OEChem-03131213512D

 13 13  0     0  0  0  0  0  0999 V2000
    1.7849    0.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680    1.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3560    1.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849   -0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -1.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825   -1.4402    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  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  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>
24899046

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
P9630_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine
3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid
4-Pyridoxic acid
P9630_SIGMA

> <PUBCHEM_XREF_EXT_ID>
P9630_SIGMA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/P9630?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
6723  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$