5274273
  -OEChem-02210614342D

 16 17  0     0  0  0  0  0  0999 V2000
    5.1350    0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -0.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812    0.3468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.2627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648   -0.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    0.9361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -1.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
5274273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQCwY4AAAAAAAAAAAAAAAAAAYAEAACwAAAAAAAABWAAADgAAgAAIEAABCAgA9AEAkgASyJZgBgCogIAAdKAwASklIBABTIIUXEBIUgAKCEQUEFAKBQAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6-dihydroxy-7,9-dihydropurin-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
2,6-dihydroxy-7,9-dihydropurin-8-one

> <PUBCHEM_IUPAC_NAME>
2,6-dihydroxy-7,9-dihydropurin-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6-dihydroxy-7,9-dihydropurin-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6-dihydroxy-7,9-dihydropurin-8-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/f/h6-7,10,12H

> <PUBCHEM_CACTVS_XLOGP>
-1.136

> <PUBCHEM_OPENEYE_MF>
C5H4N4O3

> <PUBCHEM_OPENEYE_MW>
168.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C12=C(NC(=O)N1)N=C(N=C2O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C12=C(NC(=O)N1)N=C(N=C2O)O

> <PUBCHEM_CACTVS_TPSA>
107.37

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
24

> <PUBCHEM_SUBSTANCE_ID>
3657

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00366

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.7.3.3
Is a reactant or product of enzyme EC 1.17.1.4
Is a reactant or product of enzyme EC 1.17.3.2
Is a reactant or product of enzyme EC 2.4.2.16

> <PUBCHEM_SUBSTANCE_SYNONYM>
69-93-2
C00366
Urate
Uric acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
69-93-2

> <PUBCHEM_XREF_EXT_ID>
C00366

> <PUBCHEM_GENBANK_PROTEIN_ID>
46015404
46015405
46015406
46015407
46015408
46015409
46015410
46015411
46015412
46015413
46015414
50513246
50513247
50513248
50513249
62738282
62738283
62738284
62738285
62738286
62738287
62738288
62738289
62738290
62738515
62738532
62738533
62738534
62738535
62738552
62738553
62738554
62738555
62738556
62738557
62738558
62738559
71041745
71041746
71041747
71041748
71041749
71041750
71041751
71041752
71041753
71041754
71041755
71041756
71041757
71041758
71041759
71041760

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00366

> <PUBCHEM_CID_ASSOCIATIONS>
5274273  1

> <PUBCHEM_BONDANNOTATIONS>
1  2  8
1  3  8
1  6  8
2  7  8
2  8  8
3  9  8
4  6  8
4  7  8
5  8  8
5  9  8

$$$$