Ketcher 04121716272D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
    5.6133  -20.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4790  -21.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467  -20.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3432  -19.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2128  -21.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2144  -22.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0773  -20.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9433  -21.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8078  -20.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6725  -21.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9449  -22.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0757  -19.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0     0  0
  2  3  1  0     0  0
  5  6  1  1     0  0
  5  7  1  0     0  0
  3  4  1  1     0  0
  8  7  1  0     0  0
  9 10  1  0     0  0
  1  2  1  0     0  0
  8  9  1  0     0  0
  8 11  1  1     0  0
  7 12  1  6     0  0
M  END
> <ID>
CHEBI:134311

> <NAME>
D-altritol

> <DEFINITION>
A hexitol that is hexane-1,2,3,4,5,6-hexol having (2R,3R,4S,5R) configuration; the D-enantiomer of altritol.

> <STAR>
3

> <SYNONYM>
Talitol; D-talitol; D-altritol; Altritol

> <IUPAC_NAME>
(2R,3R,4S,5R)-hexane-1,2,3,4,5,6-hexol

> <FORMULA>
C6H14O6

> <MASS>
182.172

> <MONOISOTOPIC_MASS>
182.07904

> <CHARGE>
0

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

> <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-KAZBKCHUSA-N

> <CAS_REGISTRY_NUMBER>
5552-13-6

> <REAXYS_REGISTRY_NUMBER>
1721901

> <CHEMIDPLUS>
5552-13-6

> <METACYC_ACCESSION>
CPD-12811

> <PUBMED_CITATION>
11557070; 11672287

$$$$