2735208
 OpenBabel05082101102D

 24 19  0  0  0  0  0  0  0  0999 V2000
    1.0981    4.5981    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.1962    2.5000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.0981    1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5981    3.7320    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0981    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1215    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6807    3.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9904    3.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881    0.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    6.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  CHG  6   1   1   2   1   3   1   5  -1   7  -1   8  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
2735208

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
211

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgPAAAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAAACAAAAgAIAACQCAIAAAAAAAAAAAFAAAABABYAAAAAQAAFIAABAADLJgAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
tripotassium;citrate;hydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate

>  <PUBCHEM_IUPAC_NAME>
tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tripotassium;2-oxidanylpropane-1,2,3-tricarboxylate;hydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tripotassium;citrate;hydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8O7.3K.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3

>  <PUBCHEM_IUPAC_INCHIKEY>
PJAHUDTUZRZBKM-UHFFFAOYSA-K

>  <PUBCHEM_EXACT_MASS>
323.905212

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H7K3O8

>  <PUBCHEM_MOLECULAR_WEIGHT>
324.41

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]

>  <PUBCHEM_CACTVS_TPSA>
142

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.905212

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <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>
5

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
