Ketcher 05231709552D 1   1.00000     0.00000     0

  9  8  0     1  0            999 V2000
    6.2247  -15.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0922  -14.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9597  -15.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8273  -14.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225  -13.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9655  -16.1242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0965  -13.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6933  -15.1216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580  -14.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  4  5  2  0     0  0
  3  6  1  1     0  0
  2  7  1  1     0  0
  4  8  1  0     0  0
  1  9  1  0     0  0
M  END
> <ID>
CHEBI:28587

> <NAME>
D-threose

> <DEFINITION>
The D-stereoisomer of threose.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4255; CHEBI:21108

> <SYNONYM>
D-threose; D-Threose; D-threo-Tetrose; D-(-)-Threose; (2S,3R)-2,3,4-trihydroxybutanal

> <IUPAC_NAME>
D-threose; D-threo-tetrose

> <FORMULA>
C4H8O4

> <MASS>
120.104

> <MONOISOTOPIC_MASS>
120.04226

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m1/s1

> <INCHIKEY>
YTBSYETUWUMLBZ-QWWZWVQMSA-N

> <CAS_REGISTRY_NUMBER>
95-43-2

> <REAXYS_REGISTRY_NUMBER>
1721696

> <CHEMIDPLUS>
95-43-2

> <KEGG_COMPOUND_ACCESSION>
C06463

> <PUBMED_CITATION>
3242808

$$$$