Marvin  03230815212D          

 14 13  0  0  1  0            999 V2000
    0.3572    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  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
   -1.0717    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 C   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
   -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
    1.7862    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
    0.3572    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
   -1.0717    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  6  0  0  0
  2  1  1  0  0  0  0
  2 13  1  6  0  0  0
 10  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  3  1  0  0  0  0
  4 11  1  6  0  0  0
  5  2  1  0  0  0  0
  5 14  1  1  0  0  0
  6  5  1  0  0  0  0
  9  6  2  0  0  0  0
  3  7  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
> <ID>
CHEBI:16002

> <NAME>
D-glucaric acid

> <DEFINITION>
The D-enantiomer of glucaric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20982; CHEBI:4155

> <SYNONYM>
saccharic acid; L-Gularic acid; Glucaric acid; D-Saccharic acid; D-Glucosaccharic acid; D-glucaric acid; D-Glucaric acid; D-(+)-saccharic acid

> <IUPAC_NAME>
D-glucaric acid; (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid

> <FORMULA>
C6H10O8

> <MASS>
210.13880

> <MONOISOTOPIC_MASS>
210.03757

> <CHARGE>
0

> <SMILES>
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)/t1-,2-,3-,4+/m0/s1

> <INCHIKEY>
DSLZVSRJTYRBFB-LLEIAEIESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1728113

> <CAS_REGISTRY_NUMBER>
87-73-0

> <GMELIN_REGISTRY_NUMBER>
604332

> <REAXYS_REGISTRY_NUMBER>
1728113

> <CHEMIDPLUS>
87-73-0

> <KEGG_COMPOUND_ACCESSION>
C00818

> <METACYC_ACCESSION>
D-GLUCARATE

> <NIST_CHEMISTRY_WEBBOOK>
87-73-0

> <WIKIPEDIA_ACCESSION>
Saccharic_acid

> <PUBMED_CITATION>
18384797; 21269605; 24333274

$$$$