Marvin  11090914032D          

  8  7  0  0  0  0            999 V2000
   -1.2375   -0.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5230   -0.0884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9520   -0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -1.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6664   -0.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    0.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059   -0.0884    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
  1  4  1  6  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  6  8  2  0  0  0  0
M  END
> <ID>
CHEBI:27904

> <NAME>
D-erythrose

> <DEFINITION>
The D-enantiomer of erythrose.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4113; CHEBI:20926

> <SYNONYM>
D-erythrose; D-Erythrose

> <IUPAC_NAME>
D-erythrose; D-erythro-tetrose; (2R,3R)-2,3,4-trihydroxybutanal

> <FORMULA>
C4H8O4

> <MASS>
120.10390

> <MONOISOTOPIC_MASS>
120.04226

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1

> <INCHIKEY>
YTBSYETUWUMLBZ-IUYQGCFVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5805561

> <CAS_REGISTRY_NUMBER>
583-50-6

> <REAXYS_REGISTRY_NUMBER>
5805561

> <CHEMIDPLUS>
583-50-6

> <KEGG_COMPOUND_ACCESSION>
C01796

> <KNAPSACK_ACCESSION>
C00007412

> <WIKIPEDIA_ACCESSION>
Erythrose

> <PUBMED_CITATION>
16901854; 22841585; 23501397; 6229527; 6238947

$$$$