Marvin  07131115092D          

 14 12  0  0  1  0            999 V2000
    3.7790   -5.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -6.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -5.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -5.2847    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9224   -4.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9224   -5.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6369   -5.7053    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0645   -5.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -4.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -4.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079   -6.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079   -5.6972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4934   -5.2847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1455   -3.7464    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  1  1  0  0  0  0
  1  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3  2  2  0  0  0  0
  3  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
 13 10  1  6  0  0  0
 12 11  1  6  0  0  0
M  CHG  3   4  -1   7  -1  14   1
M  END
> <ID>
CHEBI:35453

> <NAME>
5-dehydro-4-deoxy-D-glucarate(1-)

> <DEFINITION>
A dicarboxylic acid monoanion obtained by removal of a proton from one of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucaric acid.

> <STAR>
3

> <IUPAC_NAME>
hydrogen 3-deoxy-L-threo-hex-2-ulosarate

> <FORMULA>
C6H7O7

> <MASS>
191.11560

> <MONOISOTOPIC_MASS>
191.01973

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-1/t2-,4+/m0/s1

> <INCHIKEY>
QUURPCHWPQNNGL-ZAFYKAAXSA-M

$$$$