5280957
  -OEChem-02210610472D

 12 12  0     0  0  0  0  0  0999 V2000
    5.1350   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
5280957

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwQwAAAAAAAAAAAAAAAAAAAAAAACwAAAAAAAABAAAABgAAgAAIAAAAAAAAEAEAAAASCAYAAAAgAAAAJIAAAAkAAAABCIAEAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,5-triazine-2,4,6-triol

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,5-triazine-2,4,6-triol

> <PUBCHEM_IUPAC_NAME>
1,3,5-triazine-2,4,6-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,5-triazine-2,4,6-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,5-triazine-2,4,6-triol

> <PUBCHEM_NIST_INCHI>
InChI=1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/f/h7-9H

> <PUBCHEM_CACTVS_XLOGP>
0.546

> <PUBCHEM_OPENEYE_MF>
C3H3N3O3

> <PUBCHEM_OPENEYE_MW>
129.074

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=NC(=NC(=N1)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=NC(=NC(=N1)O)O)O

> <PUBCHEM_CACTVS_TPSA>
99.36

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
5

> <PUBCHEM_SUBSTANCE_ID>
8783

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C06554

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 3.5.2.15
Is a reactant or product of enzyme EC 3.5.4.-
Is a reactant or product of enzyme EC 3.5.99.4
Is a reactant or product of enzyme EC 3.5.99.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
108-80-5
C06554
Cyanuric acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
108-80-5

> <PUBCHEM_XREF_EXT_ID>
C06554

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C06554

> <PUBCHEM_CID_ASSOCIATIONS>
5280957  1

> <PUBCHEM_BONDANNOTATIONS>
1  4  8
1  5  8
2  4  8
2  6  8
3  5  8
3  6  8

$$$$