16760324
  -OEChem-04262401592D

 32 24  0     0  0  0  0  0  0999 V2000
    6.6939    3.3658    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    8.1939    2.4998    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    4.3277    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.1939    4.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1939    4.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1939    2.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1939    2.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939    3.3658    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3277    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0598    0.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    6.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6939    3.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939    2.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1940    4.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1938    2.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1940    4.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1938    1.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    4.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7308    4.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5039    1.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    1.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0039    3.9028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5040    4.7689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838    1.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840    4.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    3.3661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708    7.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970    7.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 18  1  0  0  0  0
 10 18  2  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  CHG  4   2   1   3   1   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
16760324

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
135

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiPAAAYAEAAAAAAAAAEiQAAAAAAAAsAAAAAAAAAAABgAAAHgAADAAACAjBlgQ8iJIIEACoATT3TASCgCA3AiAI2CG4bNgKJvLAlbGEMQhkwAHYyYeYSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dipotassium;hydrogen peroxide;pyridine-2-carboxylate;vanadium;hydroxide;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
dipotassium;hydrogen peroxide;2-pyridinecarboxylate;vanadium;hydroxide;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dipotassium;hydrogen peroxide;pyridine-2-carboxylate;vanadium;hydroxide;dihydrate

> <PUBCHEM_IUPAC_NAME>
dipotassium;hydrogen peroxide;pyridine-2-carboxylate;vanadium;hydroxide;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dipotassium;hydrogen peroxide;pyridine-2-carboxylate;vanadium;hydroxide;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dipotassium;hydrogen peroxide;picolinate;vanadium;hydroxide;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H5NO2.2K.2H2O2.3H2O.V/c8-6(9)5-3-1-2-4-7-5;;;2*1-2;;;;/h1-4H,(H,8,9);;;2*1-2H;3*1H2;/q;2*+1;;;;;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
WVBWLFCUGGODSA-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
371.930402

> <PUBCHEM_MOLECULAR_FORMULA>
C6H13K2NO9V

> <PUBCHEM_MOLECULAR_WEIGHT>
372.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C(=O)[O-].O.O.[OH-].OO.OO.[K+].[K+].[V]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C(=O)[O-].O.O.[OH-].OO.OO.[K+].[K+].[V]

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.930402

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
9

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  13  6
1  4  6
1  5  6
1  6  6
1  7  6
1  8  6
2  8  7
3  9  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
13  15  8
14  16  8
15  17  8
16  19  8
17  19  8

$$$$