Marvin  03040808572D          

 12 11  0  0  1  0            999 V2000
   -1.0717    0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  2  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
    1.0717   -0.2063    0.0000 C   0  0  2  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
    1.0717   -1.0313    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
   -1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  1 10  1  6  0  0  0
  2 12  1  6  0  0  0
  3 11  1  6  0  0  0
  4  7  1  6  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:18202

> <NAME>
L-iditol

> <DEFINITION>
The L-enantiomer of iditol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6249; CHEBI:13125; CHEBI:21334

> <SYNONYM>
L-iditol; L-Iditol; L-Idit; (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol

> <IUPAC_NAME>
L-iditol

> <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+/m0/s1

> <INCHIKEY>
FBPFZTCFMRRESA-UNTFVMJOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721900

> <CAS_REGISTRY_NUMBER>
488-45-9

> <REAXYS_REGISTRY_NUMBER>
1721900

> <CHEMIDPLUS>
488-45-9

> <KEGG_COMPOUND_ACCESSION>
C01507

> <METACYC_ACCESSION>
CPD-369

> <PUBMED_CITATION>
13766585; 16346404

$$$$