Marvin  11070516442D          

 13 13  0  0  1  0            999 V2000
    9.1769   -3.6389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8448   -3.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312   -4.4237    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5118   -3.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2562   -4.4244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2965   -3.3857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7406   -5.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457   -5.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3925   -3.3833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7789   -3.9348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216   -2.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720   -4.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4170   -2.1607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  1  0  0  0
  3  8  1  1  0  0  0
  9  1  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
  1 12  1  6  0  0  0
 13 11  1  0  0  0  0
M  END
> <ID>
CHEBI:17587

> <NAME>
L-gulono-1,4-lactone

> <DEFINITION>
The furanose form of gulonolactone having L-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6236; CHEBI:13116; CHEBI:21320; CHEBI:58198

> <SYNONYM>
L-Gulonolactone; L-Gulono-gamma-lactone; L-Gulono-1,4-lactone; L-gulono-1,4-lactone; L-Gulonic acid gamma-lactone; gamma-Gulonolactone

> <IUPAC_NAME>
(3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxydihydrofuran-2(3H)-one

> <FORMULA>
C6H10O6

> <MASS>
178.14000

> <MONOISOTOPIC_MASS>
178.04774

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1

> <INCHIKEY>
SXZYCXMUPBBULW-SKNVOMKLSA-N

> <CAS_REGISTRY_NUMBER>
1128-23-0

> <REAXYS_REGISTRY_NUMBER>
83002

> <KEGG_COMPOUND_ACCESSION>
C01040

> <PUBMED_CITATION>
16956367

$$$$