Marvin  12120810162D          

 15 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  1  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
    0.3572    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  2  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
    1.7862    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 O   0  5  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
   -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
    1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -2.2688    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  1  0  0  0  0
  2 13  1  6  0  0  0
  3 12  1  1  0  0  0
  4 11  1  6  0  0  0
  5 14  1  6  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
M  CHG  3   8  -1  10  -1  15   1
M  END
> <ID>
CHEBI:21397

> <NAME>
L-altrarate(1-)

> <STAR>
3

> <SYNONYM>
L-talarate

> <IUPAC_NAME>
hydrogen L-altrarate

> <FORMULA>
C6H9O8

> <MASS>
209.13086

> <MONOISOTOPIC_MASS>
209.03029

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-1/t1-,2+,3-,4-/m1/s1

> <INCHIKEY>
DSLZVSRJTYRBFB-GJPGBQJBSA-M

> <PUBMED_CITATION>
17649980

$$$$