Marvin  12070712182D          

 14 13  0  0  1  0            999 V2000
   -1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2 10  1  1  0  0  0
  3  7  1  6  0  0  0
  4  3  1  0  0  0  0
  4  8  1  6  0  0  0
  5  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  9  1  1  0  0  0
  3  6  1  0  0  0  0
 14  6  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
> <ID>
CHEBI:47962

> <NAME>
aldehydo-D-galacturonic acid

> <STAR>
3

> <SYNONYM>
D-galacturonic acid; aldehydo-D-galacturonic acid; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

> <IUPAC_NAME>
aldehydo-D-galacturonic acid

> <FORMULA>
C6H10O7

> <MASS>
194.13940

> <MONOISOTOPIC_MASS>
194.04265

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1

> <INCHIKEY>
IAJILQKETJEXLJ-RSJOWCBRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1727087

> <CAS_REGISTRY_NUMBER>
685-73-4

> <GMELIN_REGISTRY_NUMBER>
465146

> <CHEMIDPLUS>
685-73-4

$$$$