Marvin  07301015502D          

 13 12  0  0  1  0            999 V2000
   10.0440   -8.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3296   -8.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3309   -8.7260    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6163   -8.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6163   -7.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7585   -8.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7585   -7.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1875   -8.3135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1875   -7.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9019   -8.7260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9019   -9.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4730   -8.7260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4730   -9.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  6 12  1  0  0  0  0
 12  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10  4  1  0  0  0  0
  1  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  1  0  0  0
 10 11  1  1  0  0  0
 12 13  1  6  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:17886

> <NAME>
D-tagaturonate

> <DEFINITION>
Conjugate base of D-tagaturonic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4252; CHEBI:13026; CHEBI:21098; CHEBI:58493; CHEBI:59451

> <SYNONYM>
keto-D-tagaturonate; D-Tagaturonic acid; D-Tagaturonate

> <IUPAC_NAME>
D-arabino-hex-5-ulosonate

> <FORMULA>
C6H9O7

> <MASS>
193.13150

> <MONOISOTOPIC_MASS>
193.03538

> <CHARGE>
-1

> <SMILES>
OCC(=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/h3-5,7,9-11H,1H2,(H,12,13)/p-1/t3-,4-,5+/m1/s1

> <INCHIKEY>
IZSRJDGCGRAUAR-WDCZJNDASA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3907133

> <KEGG_COMPOUND_ACCESSION>
C00558

$$$$