Marvin  03030808492D          

 12 11  0  0  0  0            999 V2000
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
 11  5  1  0  0  0  0
  5  9  1  0  0  0  0
  9  7  1  0  0  0  0
  7  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  1  0  0  0
  7  8  1  1  0  0  0
  9 10  1  1  0  0  0
 11 12  1  6  0  0  0
M  END
> <ID>
CHEBI:17924

> <NAME>
D-glucitol

> <DEFINITION>
The D-enantiomer of glucitol (also known as D-sorbitol).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4246; CHEBI:21091; CHEBI:45559; CHEBI:13020; CHEBI:12954; CHEBI:17220

> <SYNONYM>
L-Gulitol; Glc-ol; G-ol; E420; E-420; E 420; D-sorbitol; D-Sorbitol; D-SORBITOL; D-Sorbit; D-Glucitol; D-(-)-sorbitol; (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol; (-)-sorbitol

> <IUPAC_NAME>
D-glucitol

> <FORMULA>
C6H14O6

> <MASS>
182.17176

> <MONOISOTOPIC_MASS>
182.07904

> <CHARGE>
0

> <SMILES>
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

> <INCHI>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1

> <INCHIKEY>
FBPFZTCFMRRESA-JGWLITMVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4656395

> <CAS_REGISTRY_NUMBER>
50-70-4

> <GMELIN_REGISTRY_NUMBER>
83162

> <REAXYS_REGISTRY_NUMBER>
1721899

> <CHEMIDPLUS>
50-70-4

> <DRUGBANK_ACCESSION>
DB01638

> <KEGG_COMPOUND_ACCESSION>
C00794

> <KEGG_DRUG_ACCESSION>
D00096

> <KNAPSACK_ACCESSION>
C00001173

> <NIST_CHEMISTRY_WEBBOOK>
50-70-4

> <PDBECHEM_ACCESSION>
SOR

> <WIKIPEDIA_ACCESSION>
Sorbitol

> <PUBMED_CITATION>
16901854; 17336832; 17979222; 19443021; 19695255; 22735334; 22878210; 23683321; 24643482; 25108762; 25568069; 31537530

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