Ketcher 08202414482D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
    1.7320    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -1.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -1.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0     0  0
  1  2  1  0     0  0
  3  4  1  0     0  0
  5  3  1  0     0  0
  5  9  1  6     0  0
  6  5  1  0     0  0
  6 10  1  6     0  0
  7  6  1  0     0  0
  1  7  1  0     0  0
  7 11  1  6     0  0
M  END
> <ID>
CHEBI:48093

> <NAME>
D-xylonic acid

> <DEFINITION>
A xylonic acid with D configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46655; CHEBI:4262

> <SYNONYM>
D-Xylonate

> <IUPAC_NAME>
D-xylonic acid; (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid

> <FORMULA>
C5H10O6

> <MASS>
166.129

> <MONOISOTOPIC_MASS>
166.04774

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1

> <INCHIKEY>
QXKAIJAYHKCRRA-FLRLBIABSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724268

> <CAS_REGISTRY_NUMBER>
526-91-0

> <KEGG_COMPOUND_ACCESSION>
C00502

> <WIKIPEDIA_ACCESSION>
Xylonic_acid

$$$$