160915
  -OEChem-05181316592D

 15 12  0     0  0  0  0  0  0999 V2000
    0.7071    0.7071    0.0000 Mn  0  1  0  0  0  0  0  0  0  0  0  0
    1.7071    1.7071    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2071    2.5731    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    1.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    1.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7071    0.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7071    3.4392    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7071    2.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0731    2.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366    5.9761    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5735    6.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996    5.6661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266    6.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3466    5.4392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  CHG  6   1   3   5  -1   6  -1   7  -1   8  -1  11   1
M  END
> <PUBCHEM_COMPOUND_CID>
160915

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
124

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYACOAMAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQACAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonium;manganic;phosphonato phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
ammonium;manganese(3+);phosphonato phosphate

> <PUBCHEM_IUPAC_NAME>
azanium;manganese(3+);phosphonato phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanium;manganese(3+);phosphonato phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonium;manganic;phosphonato phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6)/q+3;;/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
UHHXUPJJDHEMGX-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
246.884345

> <PUBCHEM_MOLECULAR_FORMULA>
H4MnNO7P2

> <PUBCHEM_MOLECULAR_WEIGHT>
246.919829

> <PUBCHEM_OPENEYE_CAN_SMILES>
[NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn+3]

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.884345

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$