-OEChem-01131113492D

 22 23  0     0  0  0  0  0  0999 V2000
    0.8125    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7725    0.7614    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    0.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601    1.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974    0.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    0.0469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -1.0799    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.8301   -1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1155    0.1578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1155   -2.3173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -1.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -1.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156   -1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8301   -0.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0675   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5444    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  2  0  0  0  0
  9 19  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1   7   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
22396032

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:9533

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
CHEBI:9533
TMP
Thiamin monophosphate
Thiamin phosphate
Thiamine monophosphate
Thiamine phosphate

> <PUBCHEM_XREF_EXT_ID>
CHEBI:9533

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9533

> <PUBCHEM_CID_ASSOCIATIONS>
1131  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$