Ketcher 03011614092D 1   1.00000     0.00000     0

 10  4  0     0  0            999 V2000
   12.1753   -4.8926    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    9.5571   -5.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231   -4.8175    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.2891   -5.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231   -3.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231   -5.8176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204   -3.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1309   -3.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1309   -6.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4204   -6.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  3  6  1  0     0  0
M  CHG  4   1   3   2  -1   4  -1   6  -1
M  END
> <ID>
CHEBI:131372

> <NAME>
iron(3+) phosphate tetrahydrate

> <DEFINITION>
A hydrate that is the tetrahydrate form of iron(3+) phosphate.

> <STAR>
3

> <SYNONYM>
iron(3+) orthophosphate tetrahydrate; iron(III) phosphate tetrahydrate; iron(III) orthophosphate tetrahydrate; ferric phosphate tetrahydrate; ferric orthophosphate tetrahydrate; FePO4.4H2O

> <IUPAC_NAME>
iron(3+) phosphate--water (1/4)

> <FORMULA>
FeH8O8P

> <MASS>
222.878

> <MONOISOTOPIC_MASS>
222.93061

> <CHARGE>
0

> <SMILES>
[Fe+3].[O-]P([O-])(=O)[O-].O.O.O.O

> <INCHI>
InChI=1S/Fe.H3O4P.4H2O/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);4*1H2/q+3;;;;;/p-3

> <INCHIKEY>
RTOYJIFECJCKIK-UHFFFAOYSA-K

> <WIKIPEDIA_ACCESSION>
Iron(III)_phosphate

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