ChEBI


 10 10  0  0  1  0  0  0  0  0  1 V2000
    8.0190  -18.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896  -17.2605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190  -19.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9603  -18.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9603  -19.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4309  -17.2605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4309  -20.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5484  -20.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896  -20.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896  -22.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  5  7  1  6  0  0  0
  3  8  1  6  0  0  0
  9  3  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  1  0  0  0
M  END
> <ID>
CHEBI:15867

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:13031; CHEBI:21116; CHEBI:4264

> <SYNONYM>
D-Xylonolactone; D-xylono-1,5-lactone; D-Xylono-1,5-lactone

> <IUPAC_NAME>
(3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one

> <FORMULA>
C5H8O5

> <MASS>
148.11402

> <MONOISOTOPIC_MASS>
148.03717

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1

> <INCHIKEY>
XXBSUZSONOQQGK-FLRLBIABSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
7020302

> <KEGG_COMPOUND_ACCESSION>
C02266

$$$$