ChEBI
  Mrv0541 11111317042D          

 10  9  0  0  1  0            999 V2000
    6.0408   -1.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6329   -2.6118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0562   -3.3238    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6484   -4.0409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0717   -4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175   -1.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082   -2.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811   -3.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237   -4.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8966   -4.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  2  1  0  0  0  0
  3  8  1  6  0  0  0
  4  3  1  0  0  0  0
  4  9  1  1  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <ID>
CHEBI:18333

> <NAME>
D-arabinitol

> <DEFINITION>
The D-enantiomer of arabinitol.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4105; CHEBI:12912; CHEBI:20916

> <SYNONYM>
D-Lyxitol; D-Arabitol; D-Arabinol; D-arabinitol; D-Arabinitol

> <IUPAC_NAME>
D-arabinitol

> <FORMULA>
C5H12O5

> <MASS>
152.14580

> <MONOISOTOPIC_MASS>
152.06847

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1

> <INCHIKEY>
HEBKCHPVOIAQTA-QWWZWVQMSA-N

> <CAS_REGISTRY_NUMBER>
488-82-4

> <REAXYS_REGISTRY_NUMBER>
1720520

> <KEGG_COMPOUND_ACCESSION>
C01904

> <KNAPSACK_ACCESSION>
C00001156

> <WIKIPEDIA_ACCESSION>
D-arabinitol

> <PUBMED_CITATION>
10921974; 23261427; 8204415

$$$$