Marvin  12250714102D          

 11 10  0  0  1  0            999 V2000
   -1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2 10  1  6  0  0  0
  7  3  2  0  0  0  0
 11  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  8  1  6  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  6  0  0  0
M  CHG  1  11  -1
M  END
> <ID>
CHEBI:17746

> <NAME>
D-xylonate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13029; CHEBI:21113

> <SYNONYM>
D-xylonate

> <IUPAC_NAME>
D-xylonate; (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate

> <FORMULA>
C5H9O6

> <MASS>
165.12136

> <MONOISOTOPIC_MASS>
165.04046

> <CHARGE>
-1

> <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)/p-1/t2-,3+,4-/m1/s1

> <INCHIKEY>
QXKAIJAYHKCRRA-FLRLBIABSA-M

$$$$