Marvin  02050716232D          

 13 12  0  0  1  0            999 V2000
    1.4289    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  2  1  1  0  0  0  0
 11  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
  3  8  1  6  0  0  0
  4  3  1  0  0  0  0
  4  9  1  1  0  0  0
  5  4  1  0  0  0  0
  5 10  1  1  0  0  0
 12  5  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:17118

> <NAME>
aldehydo-D-galactose

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20956

> <SYNONYM>
WURCS=2.0/1,1,0/[o2112h]/1/; (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal

> <IUPAC_NAME>
aldehydo-D-galactose; aldehydo-D-galacto-hexose

> <FORMULA>
C6H12O6

> <MASS>
180.15588

> <MONOISOTOPIC_MASS>
180.06339

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6-/m0/s1

> <INCHIKEY>
GZCGUPFRVQAUEE-KCDKBNATSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724619

$$$$