Marvin  03130817412D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  2   3  -1   4   1
M  END
> <ID>
CHEBI:26709

> <NAME>
sodium hydrogensulfite

> <DEFINITION>
An inorganic sodium salt having hydrogensulfite as the counterion.

> <STAR>
3

> <SYNONYM>
sulfurous acid, sodium salt (1:1); sulfurous acid, monosodium salt; sulfurous acid sodium salt; sulfurous acid monosodium salt; sodium hydrogen sulfite; sodium bisulphite; sodium bisulfite; saures Natriumsulfit; primaeres Natriumsulfit; Natriumhydrogensulfit; Natriumbisulfit; NaHSO3; NaHSO3; hydrogen sulfite sodium; E222; E 222

> <IUPAC_NAME>
sodium hydrogensulfite

> <FORMULA>
HNaO3S

> <MASS>
104.06191

> <MONOISOTOPIC_MASS>
103.95441

> <CHARGE>
0

> <SMILES>
[Na+].OS([O-])=O

> <INCHI>
InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1

> <INCHIKEY>
DWAQJAXMDSEUJJ-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
7631-90-5

> <GMELIN_REGISTRY_NUMBER>
22395

> <DRUGBANK_ACCESSION>
DB14015

> <KEGG_DRUG_ACCESSION>
D02059

> <NIST_CHEMISTRY_WEBBOOK>
7631-90-5

> <WIKIPEDIA_ACCESSION>
Sodium_bisulfite

> <AGRICOLA_CITATION>
IND605265115

> <PUBMED_CITATION>
27905861; 30429859; 32714086; 32785935; 35114314; 36440381

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