Marvin  09220616262D          

 16 15  0  0  0  0            999 V2000
   -1.3125    5.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980    5.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    4.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    2.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5980    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    4.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    4.5750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4875    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4875    2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1375    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  3  1  0  0  0  0
  3  1  1  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15  7  1  0  0  0  0
  1  2  2  0  0  0  0
  9  3  1  0  0  0  0
 11  4  1  1  0  0  0
 13  5  1  1  0  0  0
 15  6  1  1  0  0  0
  7  8  1  0  0  0  0
  3 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
 15 16  1  1  0  0  0
M  END
> <ID>
CHEBI:27411

> <NAME>
2-deoxy-D-galactose

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19552; CHEBI:1076

> <SYNONYM>
2-Deoxy-D-galactose

> <IUPAC_NAME>
2-deoxy-D-lyxo-hexose

> <FORMULA>
C6H12O5

> <MASS>
164.15648

> <MONOISOTOPIC_MASS>
164.06847

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m1/s1

> <INCHIKEY>
VRYALKFFQXWPIH-HSUXUTPPSA-N

> <CAS_REGISTRY_NUMBER>
1949-89-9

> <CHEMIDPLUS>
1949-89-9

> <KEGG_COMPOUND_ACCESSION>
C02781

> <PDBECHEM_ACCESSION>
2DG

$$$$