Mrv0541 01071516292D          

 13 13  0  0  1  0            999 V2000
    9.2592   -4.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5447   -3.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592   -4.8957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5447   -5.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8301   -4.0707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8301   -4.8957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9736   -3.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9736   -5.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5447   -6.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158   -5.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158   -3.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4012   -4.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158   -2.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  8  1  6  0  0  0
  3  4  1  0  0  0  0
  4  9  1  1  0  0  0
  2  5  1  0  0  0  0
  5 11  1  1  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
> <ID>
CHEBI:84191

> <NAME>
D-glucaro-1,5-lactone

> <DEFINITION>
A glucarolactone formed via intramolecular cyclocondensation of the 5-hydroxy and 1-carboxy groups of D-glucaric acid.

> <STAR>
3

> <SYNONYM>
glucarolactone; glucaro-delta-lactone; glucaro-1,5-lactone; glucaric lactone; glucaric acid lactone; delta-glucarolactone; D-glucarolactone; D-glucaro-delta-lactone; 1,5-glucarolactone; (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid

> <FORMULA>
C6H8O7

> <MASS>
192.12350

> <MONOISOTOPIC_MASS>
192.02700

> <CHARGE>
0

> <SMILES>
O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O

> <INCHI>
InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1

> <INCHIKEY>
YLKFQNUGXOLRNI-QDQPNEQZSA-N

> <REAXYS_REGISTRY_NUMBER>
5270176

> <METACYC_ACCESSION>
CPD-12595

> <PUBMED_CITATION>
5529307; 5749268

$$$$