Marvin  10070910322D          

 16 12  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    0.3536    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0982    1.9446    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.2393    0.4518    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  4 11  1  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
 10  8  1  0  0  0  0
  8  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  6   3  -1   6  -1   9  -1  14   1  15   1  16   1
M  END
> <ID>
CHEBI:53258

> <NAME>
sodium citrate

> <DEFINITION>
The trisodium salt of citric acid.

> <STAR>
3

> <SYNONYM>
trisodium citrate; citric acid trisodium salt

> <IUPAC_NAME>
trisodium 2-hydroxypropane-1,2,3-tricarboxylate

> <FORMULA>
C6H5Na3O7

> <MASS>
258.06900

> <MONOISOTOPIC_MASS>
257.97284

> <CHARGE>
0

> <SMILES>
[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C6H8O7.3Na/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);;;/q;3*+1/p-3

> <INCHIKEY>
HRXKRNGNAMMEHJ-UHFFFAOYSA-K

> <REAXYS_REGISTRY_NUMBER>
3920956

> <WIKIPEDIA_ACCESSION>
Trisodium_citrate

$$$$