Marvin  05260610542D          

 13 12  0  0  0  0            999 V2000
   -0.8125    4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0980    5.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    2.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6375    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    2.6750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0125    2.6750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6375    1.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  1  3  1  0  0  0  0
  8 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12  2  1  0  0  0  0
  3  4  2  0  0  0  0
 12  5  1  1  0  0  0
 10  6  1  1  0  0  0
  8  7  1  1  0  0  0
  8  9  1  1  0  0  0
 10 11  1  1  0  0  0
 12 13  1  1  0  0  0
M  END
> <ID>
CHEBI:32576

> <NAME>
boivinose

> <STAR>
3

> <SYNONYM>
D-boivinose; Boivinose; 2,6-dideoxy-D-gulose

> <IUPAC_NAME>
2,6-dideoxy-D-xylo-hexose

> <FORMULA>
C6H12O4

> <MASS>
148.15708

> <MONOISOTOPIC_MASS>
148.07356

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O4/c1-4(8)6(10)5(9)2-3-7/h3-6,8-10H,2H2,1H3/t4-,5+,6+/m1/s1

> <INCHIKEY>
JWFRNGYBHLBCMB-SRQIZXRXSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721557

$$$$